methyl 2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine-4-carboxylate

C10H17NO2 — CID 84659219

IUPACmethyl 2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine-4-carboxylate
SMILESCOC(=O)C1CNCC2CCCC21
InChIInChI=1S/C10H17NO2/c1-13-10(12)9-6-11-5-7-3-2-4-8(7)9/h7-9,11H,2-6H2,1H3
InChIKeyOIXFXTCFRKYMKD-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.80
Rot. Bonds1

About methyl 2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine-4-carboxylate

methyl 2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine-4-carboxylate (PubChem CID 84659219) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is methyl 2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine-4-carboxylate
PubChem CID84659219
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namemethyl 2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine-4-carboxylate
SMILESCOC(=O)C1CNCC2CCCC21
InChIInChI=1S/C10H17NO2/c1-13-10(12)9-6-11-5-7-3-2-4-8(7)9/h7-9,11H,2-6H2,1H3
InChIKeyOIXFXTCFRKYMKD-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 2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-cyclohexylpyrrolidine-3-carboxylate
CID 114486447
methyl (3R,4R)-4-cyclopropylpyrrolidine-3-carboxylate;hydrochloride
CID 155905262
methyl (3R,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxylate
CID 97358975
ethyl (3R,4R)-4-cyclobutylpyrrolidine-3-carboxylate
CID 155904778
methyl 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-yl)acetate
CID 167735471
methyl 2-(2-methoxycarbonylcyclohexyl)cyclohexane-1-carboxylate
CID 86175836
methyl (3R,4S)-4-methylpyrrolidine-3-carboxylate;hydrochloride
CID 131632354
methyl 4-methylbicyclo[3.3.2]decane-2-carboxylate
CID 143331432
methyl 3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-naphthalene-1-carboxylate
CID 121006982
trans-methyl (1R,2R)-2-acetylcyclopentane-1-carboxylate
CID 131114083
methyl (1S)-2-methoxycyclopentane-1-carboxylate
CID 59162842
methyl (3aR,5S,6S,7aR)-6-hydroxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-5-carboxylate
CID 131002833

Frequently Asked Questions

What is the IUPAC name of methyl 2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine-4-carboxylate?
The IUPAC name of methyl 2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine-4-carboxylate (CID 84659219) is methyl 2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine-4-carboxylate?
The canonical SMILES for methyl 2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine-4-carboxylate is COC(=O)C1CNCC2CCCC21.
What is the InChIKey of methyl 2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine-4-carboxylate?
The InChIKey is OIXFXTCFRKYMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-13-10(12)9-6-11-5-7-3-2-4-8(7)9/h7-9,11H,2-6H2,1H3.
What are the key properties of methyl 2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine-4-carboxylate?
methyl 2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine-4-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 2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine-4-carboxylate is sourced from PubChem (CID 84659219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).