methyl (6R,7S)-6-methyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine-7-carboxylate

C11H15NO2 — CID 142999071

IUPACmethyl (6R,7S)-6-methyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine-7-carboxylate
SMILESCOC(=O)[C@@H]1C2N=CC=CC2C[C@H]1C
InChIInChI=1S/C11H15NO2/c1-7-6-8-4-3-5-12-10(8)9(7)11(13)14-2/h3-5,7-10H,6H2,1-2H3/t7-,8?,9+,10?/m1/s1
InChIKeyIAHGIRMPGWOKPH-RJQCTPFPSA-N
MW193.25 g/mol
LogP1.44
Rot. Bonds1

About methyl (6R,7S)-6-methyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine-7-carboxylate

methyl (6R,7S)-6-methyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine-7-carboxylate (PubChem CID 142999071) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is methyl (6R,7S)-6-methyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl (6R,7S)-6-methyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine-7-carboxylate
PubChem CID142999071
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Namemethyl (6R,7S)-6-methyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine-7-carboxylate
SMILESCOC(=O)[C@@H]1C2N=CC=CC2C[C@H]1C
InChIInChI=1S/C11H15NO2/c1-7-6-8-4-3-5-12-10(8)9(7)11(13)14-2/h3-5,7-10H,6H2,1-2H3/t7-,8?,9+,10?/m1/s1
InChIKeyIAHGIRMPGWOKPH-RJQCTPFPSA-N
XLogP1.44
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl (6R,7S)-6-methyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine-7-carboxylate with MolForge

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Related Compounds

dimethyl (1S,4R)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 11020143
dimethyl (1R,2S,3S,4R)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 98044884
dimethyl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate;methane
CID 159731557
(2R,3R)-3-methoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 59710721
trans-ethyl (1S,2S)-2-(3-methoxy-2,3-dihydropyridin-2-yl)cyclopropane-1-carboxylate
CID 71274319
methyl (1R,2S,3S,4S)-3-methoxybicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 102130412
methyl (1R,2S,3R,4S)-3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 131207370
dimethyl 2,5-dihydroxy-1,2,3,3a,4,5,6,6a-octahydropentalene-1,4-dicarboxylate
CID 15040134
methyl (1S,2R,5R)-2-hydroxy-5-methylcyclopentane-1-carboxylate
CID 131850108
methyl (1R,2S,3R,4R)-3-aminobicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 99719050
methyl (1S,2R,3R,4S)-3-aminobicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 99726549
(1R,2S,3R,4S)-3-methoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 11892964

Frequently Asked Questions

What is the IUPAC name of methyl (6R,7S)-6-methyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine-7-carboxylate?
The IUPAC name of methyl (6R,7S)-6-methyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine-7-carboxylate (CID 142999071) is methyl (6R,7S)-6-methyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine-7-carboxylate.
What is the SMILES notation for methyl (6R,7S)-6-methyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine-7-carboxylate?
The canonical SMILES for methyl (6R,7S)-6-methyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine-7-carboxylate is COC(=O)[C@@H]1C2N=CC=CC2C[C@H]1C.
What is the InChIKey of methyl (6R,7S)-6-methyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine-7-carboxylate?
The InChIKey is IAHGIRMPGWOKPH-RJQCTPFPSA-N. The full InChI is InChI=1S/C11H15NO2/c1-7-6-8-4-3-5-12-10(8)9(7)11(13)14-2/h3-5,7-10H,6H2,1-2H3/t7-,8?,9+,10?/m1/s1.
What are the key properties of methyl (6R,7S)-6-methyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine-7-carboxylate?
methyl (6R,7S)-6-methyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine-7-carboxylate has a molecular weight of 193.25 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6R,7S)-6-methyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine-7-carboxylate is sourced from PubChem (CID 142999071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).