5-methyl-3-propan-2-ylidene-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[b]pyrrole

C13H21N — CID 123367675

IUPAC5-methyl-3-propan-2-ylidene-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[b]pyrrole
SMILESCC(C)=C1C=NC2CCCC(C)CC12
InChIInChI=1S/C13H21N/c1-9(2)12-8-14-13-6-4-5-10(3)7-11(12)13/h8,10-11,13H,4-7H2,1-3H3
InChIKeyMNEQYZPREMTSFM-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.60
Rot. Bonds

About 5-methyl-3-propan-2-ylidene-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[b]pyrrole

5-methyl-3-propan-2-ylidene-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[b]pyrrole (PubChem CID 123367675) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 5-methyl-3-propan-2-ylidene-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[b]pyrrole.

Molecular Properties

Compound Name5-methyl-3-propan-2-ylidene-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[b]pyrrole
PubChem CID123367675
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name5-methyl-3-propan-2-ylidene-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[b]pyrrole
SMILESCC(C)=C1C=NC2CCCC(C)CC12
InChIInChI=1S/C13H21N/c1-9(2)12-8-14-13-6-4-5-10(3)7-11(12)13/h8,10-11,13H,4-7H2,1-3H3
InChIKeyMNEQYZPREMTSFM-UHFFFAOYSA-N
XLogP3.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-propan-2-ylidene-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[b]pyrrole?
The IUPAC name of 5-methyl-3-propan-2-ylidene-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[b]pyrrole (CID 123367675) is 5-methyl-3-propan-2-ylidene-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[b]pyrrole.
What is the SMILES notation for 5-methyl-3-propan-2-ylidene-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[b]pyrrole?
The canonical SMILES for 5-methyl-3-propan-2-ylidene-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[b]pyrrole is CC(C)=C1C=NC2CCCC(C)CC12.
What is the InChIKey of 5-methyl-3-propan-2-ylidene-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[b]pyrrole?
The InChIKey is MNEQYZPREMTSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-9(2)12-8-14-13-6-4-5-10(3)7-11(12)13/h8,10-11,13H,4-7H2,1-3H3.
What are the key properties of 5-methyl-3-propan-2-ylidene-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[b]pyrrole?
5-methyl-3-propan-2-ylidene-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[b]pyrrole has a molecular weight of 191.32 g/mol, XLogP of 3.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-propan-2-ylidene-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[b]pyrrole is sourced from PubChem (CID 123367675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).