3,3a,4,5,6,7,8,8a-octahydro-1H-cyclohepta[c]pyrrole-2-carboxylic acid

C10H17NO2 — CID 140973095

IUPAC3,3a,4,5,6,7,8,8a-octahydro-1H-cyclohepta[c]pyrrole-2-carboxylic acid
SMILESO=C(O)N1CC2CCCCCC2C1
InChIInChI=1S/C10H17NO2/c12-10(13)11-6-8-4-2-1-3-5-9(8)7-11/h8-9H,1-7H2,(H,12,13)
InChIKeyFMOJWHGCIYYDBK-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.18
Rot. Bonds

About 3,3a,4,5,6,7,8,8a-octahydro-1H-cyclohepta[c]pyrrole-2-carboxylic acid

3,3a,4,5,6,7,8,8a-octahydro-1H-cyclohepta[c]pyrrole-2-carboxylic acid (PubChem CID 140973095) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 3,3a,4,5,6,7,8,8a-octahydro-1H-cyclohepta[c]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name3,3a,4,5,6,7,8,8a-octahydro-1H-cyclohepta[c]pyrrole-2-carboxylic acid
PubChem CID140973095
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name3,3a,4,5,6,7,8,8a-octahydro-1H-cyclohepta[c]pyrrole-2-carboxylic acid
SMILESO=C(O)N1CC2CCCCCC2C1
InChIInChI=1S/C10H17NO2/c12-10(13)11-6-8-4-2-1-3-5-9(8)7-11/h8-9H,1-7H2,(H,12,13)
InChIKeyFMOJWHGCIYYDBK-UHFFFAOYSA-N
XLogP2.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 170429882
3-[(3S)-piperidin-3-yl]azetidine-1-carboxylic acid
CID 134211094
3-azabicyclo[5.1.0]octane-3-carboxylic acid
CID 150365734
2-(1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl)cyclobutane-1-carboxylic acid
CID 120976907
3-amino-4-cyclohexylpiperidine-1-carboxylic acid
CID 67192296
1-(3-cyclopentylpiperidin-1-yl)ethanone
CID 91592675
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]ethanone
CID 126758675
8-(hydroxymethyl)-3-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 69144156
8-formyl-3-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 118977842
1,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[c]pyrrol-2-yl hydrogen carbonate
CID 68880895
(3aR)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid
CID 134587542

Frequently Asked Questions

What is the IUPAC name of 3,3a,4,5,6,7,8,8a-octahydro-1H-cyclohepta[c]pyrrole-2-carboxylic acid?
The IUPAC name of 3,3a,4,5,6,7,8,8a-octahydro-1H-cyclohepta[c]pyrrole-2-carboxylic acid (CID 140973095) is 3,3a,4,5,6,7,8,8a-octahydro-1H-cyclohepta[c]pyrrole-2-carboxylic acid.
What is the SMILES notation for 3,3a,4,5,6,7,8,8a-octahydro-1H-cyclohepta[c]pyrrole-2-carboxylic acid?
The canonical SMILES for 3,3a,4,5,6,7,8,8a-octahydro-1H-cyclohepta[c]pyrrole-2-carboxylic acid is O=C(O)N1CC2CCCCCC2C1.
What is the InChIKey of 3,3a,4,5,6,7,8,8a-octahydro-1H-cyclohepta[c]pyrrole-2-carboxylic acid?
The InChIKey is FMOJWHGCIYYDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c12-10(13)11-6-8-4-2-1-3-5-9(8)7-11/h8-9H,1-7H2,(H,12,13).
What are the key properties of 3,3a,4,5,6,7,8,8a-octahydro-1H-cyclohepta[c]pyrrole-2-carboxylic acid?
3,3a,4,5,6,7,8,8a-octahydro-1H-cyclohepta[c]pyrrole-2-carboxylic acid has a molecular weight of 183.25 g/mol, XLogP of 2.18, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,5,6,7,8,8a-octahydro-1H-cyclohepta[c]pyrrole-2-carboxylic acid is sourced from PubChem (CID 140973095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).