methyl 5-methyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxylate

C10H17NO2 — CID 130001074

IUPACmethyl 5-methyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxylate
SMILESCOC(=O)C1(C)CC2CNCC2C1
InChIInChI=1S/C10H17NO2/c1-10(9(12)13-2)3-7-5-11-6-8(7)4-10/h7-8,11H,3-6H2,1-2H3
InChIKeyQLMARFOMHMGYAB-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.80
Rot. Bonds1

About methyl 5-methyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxylate

methyl 5-methyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxylate (PubChem CID 130001074) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is methyl 5-methyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxylate
PubChem CID130001074
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namemethyl 5-methyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxylate
SMILESCOC(=O)C1(C)CC2CNCC2C1
InChIInChI=1S/C10H17NO2/c1-10(9(12)13-2)3-7-5-11-6-8(7)4-10/h7-8,11H,3-6H2,1-2H3
InChIKeyQLMARFOMHMGYAB-UHFFFAOYSA-N
XLogP0.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 5-methyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxylate with MolForge

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Related Compounds

methyl (3aR,6aS)-5-hydroxy-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-pentalene-2-carboxylate
CID 130762589
methyl (3aR,6aS)-2-methyl-5-oxo-1,3,3a,4,6,6a-hexahydropentalene-2-carboxylate
CID 11644083
methyl 1-methyl-3-(methylcarbamoyl)cyclobutane-1-carboxylate
CID 59811806
methyl 3-cyano-1-methylcyclobutane-1-carboxylate
CID 173252740
methyl (3S)-3-methylpyrrolidine-3-carboxylate
CID 95020716
methyl (1S,5S,8R)-8-hydroxy-3-azabicyclo[3.2.1]octane-1-carboxylate
CID 130985038
trans-methyl (1R,3S)-3-chloro-1-methylcyclopentane-1-carboxylate
CID 14435921
trans-methyl (1S,3R)-3-hydroxy-1-methylcyclopentane-1-carboxylate
CID 99866879
methyl (3S)-3-methylpiperidine-3-carboxylate
CID 52644166
methyl 3-methoxy-1-methylcyclopentane-1-carboxylate
CID 141171024
methyl (2R,4R)-4-fluoro-2-methylpyrrolidine-2-carboxylate
CID 125448955
methyl 2-methyl-4-(thian-4-yl)pyrrolidine-2-carboxylate
CID 117269877

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxylate?
The IUPAC name of methyl 5-methyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxylate (CID 130001074) is methyl 5-methyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxylate.
What is the SMILES notation for methyl 5-methyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxylate?
The canonical SMILES for methyl 5-methyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxylate is COC(=O)C1(C)CC2CNCC2C1.
What is the InChIKey of methyl 5-methyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxylate?
The InChIKey is QLMARFOMHMGYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-10(9(12)13-2)3-7-5-11-6-8(7)4-10/h7-8,11H,3-6H2,1-2H3.
What are the key properties of methyl 5-methyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxylate?
methyl 5-methyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxylate has a molecular weight of 183.25 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxylate is sourced from PubChem (CID 130001074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).