3-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrole;3-methyl-3a,4,5,6,7,7a-hexahydro-1H-isoindole;2-methyl-3-azabicyclo[3.2.0]hept-2-ene;2-methyl-3-azabicyclo[3.1.0]hex-2-ene;6-methyl-7-azaspiro[4.5]dec-6-ene;9-methyl-8-azaspiro[4.5]dec-8-ene;5-methyl-6-azaspiro[3.5]non-5-ene;8-methyl-7-azaspiro[3.5]non-7-ene;4-methyl-5-azaspiro[2.5]oct-4-ene;7-methyl-6-azaspiro[2.5]oct-6-ene;1-methyl-2-azaspiro[5.5]undec-1-ene;4-methyl-3-azaspiro[5.5]undec-3-ene;2-methylidene-1-azabicyclo[3.2.0]heptane;5-methylidene-1,2,3,6,7,8-hexahydropyrrolizine

C121H200N14 — CID 167692136

IUPAC3-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrole;3-methyl-3a,4,5,6,7,7a-hexahydro-1H-isoindole;2-methyl-3-azabicyclo[3.2.0]hept-2-ene;2-methyl-3-azabicyclo[3.1.0]hex-2-ene;6-methyl-7-azaspiro[4.5]dec-6-ene;9-methyl-8-azaspiro[4.5]dec-8-ene;5-methyl-6-azaspiro[3.5]non-5-ene;8-methyl-7-azaspiro[3.5]non-7-ene;4-methyl-5-azaspiro[2.5]oct-4-ene;7-methyl-6-azaspiro[2.5]oct-6-ene;1-methyl-2-azaspiro[5.5]undec-1-ene;4-methyl-3-azaspiro[5.5]undec-3-ene;2-methylidene-1-azabicyclo[3.2.0]heptane;5-methylidene-1,2,3,6,7,8-hexahydropyrrolizine
SMILESC=C1CCC2CCCN12.C=C1CCC2CCN12.CC1=NCC2CC12.CC1=NCC2CCC12.CC1=NCC2CCCC12.CC1=NCC2CCCCC12.CC1=NCCC2(CC2)C1.CC1=NCCC2(CCC2)C1.CC1=NCCC2(CCCC2)C1.CC1=NCCC2(CCCCC2)C1.CC1=NCCCC12CC2.CC1=NCCCC12CCC2.CC1=NCCCC12CCCC2.CC1=NCCCC12CCCCC2
InChIInChI=1S/2C11H19N.2C10H17N.3C9H15N.4C8H13N.2C7H11N.C6H9N/c1-10-11(8-5-9-12-10)6-3-2-4-7-11;1-10-9-11(7-8-12-10)5-3-2-4-6-11;1-9-10(5-2-3-6-10)7-4-8-11-9;1-9-8-10(6-7-11-9)4-2-3-5-10;1-8-9(4-2-5-9)6-3-7-10-8;1-8-7-9(3-2-4-9)5-6-10-8;1-7-9-5-3-2-4-8(9)6-10-7;1-7-6-8(2-3-8)4-5-9-7;1-7-8(4-5-8)3-2-6-9-7;1-7-4-5-8-3-2-6-9(7)8;1-6-8-4-2-3-7(8)5-9-6;1-6-2-3-7-4-5-8(6)7;1-5-7-3-2-6(7)4-8-5;1-4-6-2-5(6)3-7-4/h2*2-9H2,1H3;2*2-8H2,1H3;2*2-7H2,1H3;8-9H,2-6H2,1H3;2*2-6H2,1H3;8H,1-6H2;7-8H,2-5H2,1H3;7H,1-5H2;6-7H,2-4H2,1H3;5-6H,2-3H2,1H3
InChIKeyVLBPGWCJNABYEP-UHFFFAOYSA-N
MW1851.03 g/mol
LogP30.71
Rot. Bonds

About 3-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrole;3-methyl-3a,4,5,6,7,7a-hexahydro-1H-isoindole;2-methyl-3-azabicyclo[3.2.0]hept-2-ene;2-methyl-3-azabicyclo[3.1.0]hex-2-ene;6-methyl-7-azaspiro[4.5]dec-6-ene;9-methyl-8-azaspiro[4.5]dec-8-ene;5-methyl-6-azaspiro[3.5]non-5-ene;8-methyl-7-azaspiro[3.5]non-7-ene;4-methyl-5-azaspiro[2.5]oct-4-ene;7-methyl-6-azaspiro[2.5]oct-6-ene;1-methyl-2-azaspiro[5.5]undec-1-ene;4-methyl-3-azaspiro[5.5]undec-3-ene;2-methylidene-1-azabicyclo[3.2.0]heptane;5-methylidene-1,2,3,6,7,8-hexahydropyrrolizine

3-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrole;3-methyl-3a,4,5,6,7,7a-hexahydro-1H-isoindole;2-methyl-3-azabicyclo[3.2.0]hept-2-ene;2-methyl-3-azabicyclo[3.1.0]hex-2-ene;6-methyl-7-azaspiro[4.5]dec-6-ene;9-methyl-8-azaspiro[4.5]dec-8-ene;5-methyl-6-azaspiro[3.5]non-5-ene;8-methyl-7-azaspiro[3.5]non-7-ene;4-methyl-5-azaspiro[2.5]oct-4-ene;7-methyl-6-azaspiro[2.5]oct-6-ene;1-methyl-2-azaspiro[5.5]undec-1-ene;4-methyl-3-azaspiro[5.5]undec-3-ene;2-methylidene-1-azabicyclo[3.2.0]heptane;5-methylidene-1,2,3,6,7,8-hexahydropyrrolizine (PubChem CID 167692136) has the molecular formula C121H200N14 and a molecular weight of 1851.03 g/mol. Its IUPAC name is 3-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrole;3-methyl-3a,4,5,6,7,7a-hexahydro-1H-isoindole;2-methyl-3-azabicyclo[3.2.0]hept-2-ene;2-methyl-3-azabicyclo[3.1.0]hex-2-ene;6-methyl-7-azaspiro[4.5]dec-6-ene;9-methyl-8-azaspiro[4.5]dec-8-ene;5-methyl-6-azaspiro[3.5]non-5-ene;8-methyl-7-azaspiro[3.5]non-7-ene;4-methyl-5-azaspiro[2.5]oct-4-ene;7-methyl-6-azaspiro[2.5]oct-6-ene;1-methyl-2-azaspiro[5.5]undec-1-ene;4-methyl-3-azaspiro[5.5]undec-3-ene;2-methylidene-1-azabicyclo[3.2.0]heptane;5-methylidene-1,2,3,6,7,8-hexahydropyrrolizine.

Molecular Properties

Compound Name3-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrole;3-methyl-3a,4,5,6,7,7a-hexahydro-1H-isoindole;2-methyl-3-azabicyclo[3.2.0]hept-2-ene;2-methyl-3-azabicyclo[3.1.0]hex-2-ene;6-methyl-7-azaspiro[4.5]dec-6-ene;9-methyl-8-azaspiro[4.5]dec-8-ene;5-methyl-6-azaspiro[3.5]non-5-ene;8-methyl-7-azaspiro[3.5]non-7-ene;4-methyl-5-azaspiro[2.5]oct-4-ene;7-methyl-6-azaspiro[2.5]oct-6-ene;1-methyl-2-azaspiro[5.5]undec-1-ene;4-methyl-3-azaspiro[5.5]undec-3-ene;2-methylidene-1-azabicyclo[3.2.0]heptane;5-methylidene-1,2,3,6,7,8-hexahydropyrrolizine
PubChem CID167692136
Molecular FormulaC121H200N14
Molecular Weight1851.03 g/mol
Exact Mass1849.61
IUPAC Name3-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrole;3-methyl-3a,4,5,6,7,7a-hexahydro-1H-isoindole;2-methyl-3-azabicyclo[3.2.0]hept-2-ene;2-methyl-3-azabicyclo[3.1.0]hex-2-ene;6-methyl-7-azaspiro[4.5]dec-6-ene;9-methyl-8-azaspiro[4.5]dec-8-ene;5-methyl-6-azaspiro[3.5]non-5-ene;8-methyl-7-azaspiro[3.5]non-7-ene;4-methyl-5-azaspiro[2.5]oct-4-ene;7-methyl-6-azaspiro[2.5]oct-6-ene;1-methyl-2-azaspiro[5.5]undec-1-ene;4-methyl-3-azaspiro[5.5]undec-3-ene;2-methylidene-1-azabicyclo[3.2.0]heptane;5-methylidene-1,2,3,6,7,8-hexahydropyrrolizine
SMILESC=C1CCC2CCCN12.C=C1CCC2CCN12.CC1=NCC2CC12.CC1=NCC2CCC12.CC1=NCC2CCCC12.CC1=NCC2CCCCC12.CC1=NCCC2(CC2)C1.CC1=NCCC2(CCC2)C1.CC1=NCCC2(CCCC2)C1.CC1=NCCC2(CCCCC2)C1.CC1=NCCCC12CC2.CC1=NCCCC12CCC2.CC1=NCCCC12CCCC2.CC1=NCCCC12CCCCC2
InChIInChI=1S/2C11H19N.2C10H17N.3C9H15N.4C8H13N.2C7H11N.C6H9N/c1-10-11(8-5-9-12-10)6-3-2-4-7-11;1-10-9-11(7-8-12-10)5-3-2-4-6-11;1-9-10(5-2-3-6-10)7-4-8-11-9;1-9-8-10(6-7-11-9)4-2-3-5-10;1-8-9(4-2-5-9)6-3-7-10-8;1-8-7-9(3-2-4-9)5-6-10-8;1-7-9-5-3-2-4-8(9)6-10-7;1-7-6-8(2-3-8)4-5-9-7;1-7-8(4-5-8)3-2-6-9-7;1-7-4-5-8-3-2-6-9(7)8;1-6-8-4-2-3-7(8)5-9-6;1-6-2-3-7-4-5-8(6)7;1-5-7-3-2-6(7)4-8-5;1-4-6-2-5(6)3-7-4/h2*2-9H2,1H3;2*2-8H2,1H3;2*2-7H2,1H3;8-9H,2-6H2,1H3;2*2-6H2,1H3;8H,1-6H2;7-8H,2-5H2,1H3;7H,1-5H2;6-7H,2-4H2,1H3;5-6H,2-3H2,1H3
InChIKeyVLBPGWCJNABYEP-UHFFFAOYSA-N
XLogP30.71
TPSA154.80 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001851.03
LogP ≤ 530.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 3-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrole;3-methyl-3a,4,5,6,7,7a-hexahydro-1H-isoindole;2-methyl-3-azabicyclo[3.2.0]hept-2-ene;2-methyl-3-azabicyclo[3.1.0]hex-2-ene;6-methyl-7-azaspiro[4.5]dec-6-ene;9-methyl-8-azaspiro[4.5]dec-8-ene;5-methyl-6-azaspiro[3.5]non-5-ene;8-methyl-7-azaspiro[3.5]non-7-ene;4-methyl-5-azaspiro[2.5]oct-4-ene;7-methyl-6-azaspiro[2.5]oct-6-ene;1-methyl-2-azaspiro[5.5]undec-1-ene;4-methyl-3-azaspiro[5.5]undec-3-ene;2-methylidene-1-azabicyclo[3.2.0]heptane;5-methylidene-1,2,3,6,7,8-hexahydropyrrolizine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrole;3-methyl-3a,4,5,6,7,7a-hexahydro-1H-isoindole;2-methyl-3-azabicyclo[3.2.0]hept-2-ene;2-methyl-3-azabicyclo[3.1.0]hex-2-ene;6-methyl-7-azaspiro[4.5]dec-6-ene;9-methyl-8-azaspiro[4.5]dec-8-ene;5-methyl-6-azaspiro[3.5]non-5-ene;8-methyl-7-azaspiro[3.5]non-7-ene;4-methyl-5-azaspiro[2.5]oct-4-ene;7-methyl-6-azaspiro[2.5]oct-6-ene;1-methyl-2-azaspiro[5.5]undec-1-ene;4-methyl-3-azaspiro[5.5]undec-3-ene;2-methylidene-1-azabicyclo[3.2.0]heptane;5-methylidene-1,2,3,6,7,8-hexahydropyrrolizine?
The IUPAC name of 3-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrole;3-methyl-3a,4,5,6,7,7a-hexahydro-1H-isoindole;2-methyl-3-azabicyclo[3.2.0]hept-2-ene;2-methyl-3-azabicyclo[3.1.0]hex-2-ene;6-methyl-7-azaspiro[4.5]dec-6-ene;9-methyl-8-azaspiro[4.5]dec-8-ene;5-methyl-6-azaspiro[3.5]non-5-ene;8-methyl-7-azaspiro[3.5]non-7-ene;4-methyl-5-azaspiro[2.5]oct-4-ene;7-methyl-6-azaspiro[2.5]oct-6-ene;1-methyl-2-azaspiro[5.5]undec-1-ene;4-methyl-3-azaspiro[5.5]undec-3-ene;2-methylidene-1-azabicyclo[3.2.0]heptane;5-methylidene-1,2,3,6,7,8-hexahydropyrrolizine (CID 167692136) is 3-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrole;3-methyl-3a,4,5,6,7,7a-hexahydro-1H-isoindole;2-methyl-3-azabicyclo[3.2.0]hept-2-ene;2-methyl-3-azabicyclo[3.1.0]hex-2-ene;6-methyl-7-azaspiro[4.5]dec-6-ene;9-methyl-8-azaspiro[4.5]dec-8-ene;5-methyl-6-azaspiro[3.5]non-5-ene;8-methyl-7-azaspiro[3.5]non-7-ene;4-methyl-5-azaspiro[2.5]oct-4-ene;7-methyl-6-azaspiro[2.5]oct-6-ene;1-methyl-2-azaspiro[5.5]undec-1-ene;4-methyl-3-azaspiro[5.5]undec-3-ene;2-methylidene-1-azabicyclo[3.2.0]heptane;5-methylidene-1,2,3,6,7,8-hexahydropyrrolizine.
What is the SMILES notation for 3-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrole;3-methyl-3a,4,5,6,7,7a-hexahydro-1H-isoindole;2-methyl-3-azabicyclo[3.2.0]hept-2-ene;2-methyl-3-azabicyclo[3.1.0]hex-2-ene;6-methyl-7-azaspiro[4.5]dec-6-ene;9-methyl-8-azaspiro[4.5]dec-8-ene;5-methyl-6-azaspiro[3.5]non-5-ene;8-methyl-7-azaspiro[3.5]non-7-ene;4-methyl-5-azaspiro[2.5]oct-4-ene;7-methyl-6-azaspiro[2.5]oct-6-ene;1-methyl-2-azaspiro[5.5]undec-1-ene;4-methyl-3-azaspiro[5.5]undec-3-ene;2-methylidene-1-azabicyclo[3.2.0]heptane;5-methylidene-1,2,3,6,7,8-hexahydropyrrolizine?
The canonical SMILES for 3-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrole;3-methyl-3a,4,5,6,7,7a-hexahydro-1H-isoindole;2-methyl-3-azabicyclo[3.2.0]hept-2-ene;2-methyl-3-azabicyclo[3.1.0]hex-2-ene;6-methyl-7-azaspiro[4.5]dec-6-ene;9-methyl-8-azaspiro[4.5]dec-8-ene;5-methyl-6-azaspiro[3.5]non-5-ene;8-methyl-7-azaspiro[3.5]non-7-ene;4-methyl-5-azaspiro[2.5]oct-4-ene;7-methyl-6-azaspiro[2.5]oct-6-ene;1-methyl-2-azaspiro[5.5]undec-1-ene;4-methyl-3-azaspiro[5.5]undec-3-ene;2-methylidene-1-azabicyclo[3.2.0]heptane;5-methylidene-1,2,3,6,7,8-hexahydropyrrolizine is C=C1CCC2CCCN12.C=C1CCC2CCN12.CC1=NCC2CC12.CC1=NCC2CCC12.CC1=NCC2CCCC12.CC1=NCC2CCCCC12.CC1=NCCC2(CC2)C1.CC1=NCCC2(CCC2)C1.CC1=NCCC2(CCCC2)C1.CC1=NCCC2(CCCCC2)C1.CC1=NCCCC12CC2.CC1=NCCCC12CCC2.CC1=NCCCC12CCCC2.CC1=NCCCC12CCCCC2.
What is the InChIKey of 3-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrole;3-methyl-3a,4,5,6,7,7a-hexahydro-1H-isoindole;2-methyl-3-azabicyclo[3.2.0]hept-2-ene;2-methyl-3-azabicyclo[3.1.0]hex-2-ene;6-methyl-7-azaspiro[4.5]dec-6-ene;9-methyl-8-azaspiro[4.5]dec-8-ene;5-methyl-6-azaspiro[3.5]non-5-ene;8-methyl-7-azaspiro[3.5]non-7-ene;4-methyl-5-azaspiro[2.5]oct-4-ene;7-methyl-6-azaspiro[2.5]oct-6-ene;1-methyl-2-azaspiro[5.5]undec-1-ene;4-methyl-3-azaspiro[5.5]undec-3-ene;2-methylidene-1-azabicyclo[3.2.0]heptane;5-methylidene-1,2,3,6,7,8-hexahydropyrrolizine?
The InChIKey is VLBPGWCJNABYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H19N.2C10H17N.3C9H15N.4C8H13N.2C7H11N.C6H9N/c1-10-11(8-5-9-12-10)6-3-2-4-7-11;1-10-9-11(7-8-12-10)5-3-2-4-6-11;1-9-10(5-2-3-6-10)7-4-8-11-9;1-9-8-10(6-7-11-9)4-2-3-5-10;1-8-9(4-2-5-9)6-3-7-10-8;1-8-7-9(3-2-4-9)5-6-10-8;1-7-9-5-3-2-4-8(9)6-10-7;1-7-6-8(2-3-8)4-5-9-7;1-7-8(4-5-8)3-2-6-9-7;1-7-4-5-8-3-2-6-9(7)8;1-6-8-4-2-3-7(8)5-9-6;1-6-2-3-7-4-5-8(6)7;1-5-7-3-2-6(7)4-8-5;1-4-6-2-5(6)3-7-4/h2*2-9H2,1H3;2*2-8H2,1H3;2*2-7H2,1H3;8-9H,2-6H2,1H3;2*2-6H2,1H3;8H,1-6H2;7-8H,2-5H2,1H3;7H,1-5H2;6-7H,2-4H2,1H3;5-6H,2-3H2,1H3.
What are the key properties of 3-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrole;3-methyl-3a,4,5,6,7,7a-hexahydro-1H-isoindole;2-methyl-3-azabicyclo[3.2.0]hept-2-ene;2-methyl-3-azabicyclo[3.1.0]hex-2-ene;6-methyl-7-azaspiro[4.5]dec-6-ene;9-methyl-8-azaspiro[4.5]dec-8-ene;5-methyl-6-azaspiro[3.5]non-5-ene;8-methyl-7-azaspiro[3.5]non-7-ene;4-methyl-5-azaspiro[2.5]oct-4-ene;7-methyl-6-azaspiro[2.5]oct-6-ene;1-methyl-2-azaspiro[5.5]undec-1-ene;4-methyl-3-azaspiro[5.5]undec-3-ene;2-methylidene-1-azabicyclo[3.2.0]heptane;5-methylidene-1,2,3,6,7,8-hexahydropyrrolizine?
3-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrole;3-methyl-3a,4,5,6,7,7a-hexahydro-1H-isoindole;2-methyl-3-azabicyclo[3.2.0]hept-2-ene;2-methyl-3-azabicyclo[3.1.0]hex-2-ene;6-methyl-7-azaspiro[4.5]dec-6-ene;9-methyl-8-azaspiro[4.5]dec-8-ene;5-methyl-6-azaspiro[3.5]non-5-ene;8-methyl-7-azaspiro[3.5]non-7-ene;4-methyl-5-azaspiro[2.5]oct-4-ene;7-methyl-6-azaspiro[2.5]oct-6-ene;1-methyl-2-azaspiro[5.5]undec-1-ene;4-methyl-3-azaspiro[5.5]undec-3-ene;2-methylidene-1-azabicyclo[3.2.0]heptane;5-methylidene-1,2,3,6,7,8-hexahydropyrrolizine has a molecular weight of 1851.03 g/mol, XLogP of 30.71, 0 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrole;3-methyl-3a,4,5,6,7,7a-hexahydro-1H-isoindole;2-methyl-3-azabicyclo[3.2.0]hept-2-ene;2-methyl-3-azabicyclo[3.1.0]hex-2-ene;6-methyl-7-azaspiro[4.5]dec-6-ene;9-methyl-8-azaspiro[4.5]dec-8-ene;5-methyl-6-azaspiro[3.5]non-5-ene;8-methyl-7-azaspiro[3.5]non-7-ene;4-methyl-5-azaspiro[2.5]oct-4-ene;7-methyl-6-azaspiro[2.5]oct-6-ene;1-methyl-2-azaspiro[5.5]undec-1-ene;4-methyl-3-azaspiro[5.5]undec-3-ene;2-methylidene-1-azabicyclo[3.2.0]heptane;5-methylidene-1,2,3,6,7,8-hexahydropyrrolizine is sourced from PubChem (CID 167692136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).