4,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid

C8H11NO2 — CID 139537113

IUPAC4,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid
SMILESO=C(O)N1C=C2CCCC2C1
InChIInChI=1S/C8H11NO2/c10-8(11)9-4-6-2-1-3-7(6)5-9/h4,7H,1-3,5H2,(H,10,11)
InChIKeyFXIQNPVEHCLOFX-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.66
Rot. Bonds

About 4,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid

4,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid (PubChem CID 139537113) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 4,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid
PubChem CID139537113
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name4,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid
SMILESO=C(O)N1C=C2CCCC2C1
InChIInChI=1S/C8H11NO2/c10-8(11)9-4-6-2-1-3-7(6)5-9/h4,7H,1-3,5H2,(H,10,11)
InChIKeyFXIQNPVEHCLOFX-UHFFFAOYSA-N
XLogP1.66
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid
CID 154144585
2,3,3a,4,5,6-hexahydro-1H-indene-5-carboxylic acid
CID 23008857
bicyclo[3.2.0]hept-1(7)-ene
CID 86002949
N-tert-butyl-2,3,4,4a,5,6,7,8-octahydroisoquinoline-3-carboxamide
CID 142135032
1-[5-(2,3,4,5-tetrahydropyridin-2-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone
CID 91747724
1-[5-(1-methylpiperidin-2-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone
CID 11218329
1,5,6,7,8,8a-hexahydronaphthalen-2-ol
CID 68897886
3-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-1-carboxylic acid
CID 91368528
2-(5-cyclopentyl-1-methylpyrazol-3-yl)propanoic acid
CID 105479308
1-(5-piperidin-2-yl-3,4-dihydro-2H-pyridin-1-yl)propan-1-one
CID 596684
3-cyclopentyl-1-(3-methylbutyl)pyrazole-4-carboxylic acid
CID 62633703
3-cyclobutyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
CID 83641939

Frequently Asked Questions

What is the IUPAC name of 4,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid?
The IUPAC name of 4,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid (CID 139537113) is 4,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid.
What is the SMILES notation for 4,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid?
The canonical SMILES for 4,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid is O=C(O)N1C=C2CCCC2C1.
What is the InChIKey of 4,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid?
The InChIKey is FXIQNPVEHCLOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c10-8(11)9-4-6-2-1-3-7(6)5-9/h4,7H,1-3,5H2,(H,10,11).
What are the key properties of 4,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid?
4,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid has a molecular weight of 153.18 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid is sourced from PubChem (CID 139537113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).