2-(pyridin-3-ylmethyl)cyclopentene-1-carboxylic acid

C12H13NO2 — CID 130992753

IUPAC2-(pyridin-3-ylmethyl)cyclopentene-1-carboxylic acid
SMILESO=C(O)C1=C(Cc2cccnc2)CCC1
InChIInChI=1S/C12H13NO2/c14-12(15)11-5-1-4-10(11)7-9-3-2-6-13-8-9/h2-3,6,8H,1,4-5,7H2,(H,14,15)
InChIKeyUFJHWRSCYJZWCT-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.19
Rot. Bonds3

About 2-(pyridin-3-ylmethyl)cyclopentene-1-carboxylic acid

2-(pyridin-3-ylmethyl)cyclopentene-1-carboxylic acid (PubChem CID 130992753) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-(pyridin-3-ylmethyl)cyclopentene-1-carboxylic acid.

Molecular Properties

Compound Name2-(pyridin-3-ylmethyl)cyclopentene-1-carboxylic acid
PubChem CID130992753
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name2-(pyridin-3-ylmethyl)cyclopentene-1-carboxylic acid
SMILESO=C(O)C1=C(Cc2cccnc2)CCC1
InChIInChI=1S/C12H13NO2/c14-12(15)11-5-1-4-10(11)7-9-3-2-6-13-8-9/h2-3,6,8H,1,4-5,7H2,(H,14,15)
InChIKeyUFJHWRSCYJZWCT-UHFFFAOYSA-N
XLogP2.19
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(pyridin-3-ylmethyl)pyridine
CID 14762640
3-benzylpyridine;formic acid
CID 174503454
CID 66868100
CID 66868100
2-pyridin-3-ylacetyl chloride
CID 14697475
1-(pyridin-3-ylmethylamino)cyclohexane-1-carboxylic acid;dihydrochloride
CID 53422261
2-[cycloheptyl(pyridin-3-ylmethyl)amino]acetic acid
CID 46993000
CID 175739173
CID 175739173
lithium;hydride;2-pyridin-3-ylacetic acid
CID 173026035
pyridin-4-yl-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 110096200
1-[[(2-pyridin-3-ylacetyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115435809
2-(2-pyridin-3-ylethyl)-1,3-dihydroindene-2-carboxylic acid
CID 79429073
1-methyl-5-(pyridin-3-ylmethyl)pyrazole-4-carboxylic acid
CID 166202894

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-3-ylmethyl)cyclopentene-1-carboxylic acid?
The IUPAC name of 2-(pyridin-3-ylmethyl)cyclopentene-1-carboxylic acid (CID 130992753) is 2-(pyridin-3-ylmethyl)cyclopentene-1-carboxylic acid.
What is the SMILES notation for 2-(pyridin-3-ylmethyl)cyclopentene-1-carboxylic acid?
The canonical SMILES for 2-(pyridin-3-ylmethyl)cyclopentene-1-carboxylic acid is O=C(O)C1=C(Cc2cccnc2)CCC1.
What is the InChIKey of 2-(pyridin-3-ylmethyl)cyclopentene-1-carboxylic acid?
The InChIKey is UFJHWRSCYJZWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c14-12(15)11-5-1-4-10(11)7-9-3-2-6-13-8-9/h2-3,6,8H,1,4-5,7H2,(H,14,15).
What are the key properties of 2-(pyridin-3-ylmethyl)cyclopentene-1-carboxylic acid?
2-(pyridin-3-ylmethyl)cyclopentene-1-carboxylic acid has a molecular weight of 203.24 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-3-ylmethyl)cyclopentene-1-carboxylic acid is sourced from PubChem (CID 130992753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).