1-cyclopentyl-3,6-dihydro-2H-pyridine-4-carboxylic acid

C11H17NO2 — CID 117003144

IUPAC1-cyclopentyl-3,6-dihydro-2H-pyridine-4-carboxylic acid
SMILESO=C(O)C1=CCN(C2CCCC2)CC1
InChIInChI=1S/C11H17NO2/c13-11(14)9-5-7-12(8-6-9)10-3-1-2-4-10/h5,10H,1-4,6-8H2,(H,13,14)
InChIKeyDUBLLKGLPNHNSK-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.65
Rot. Bonds2

About 1-cyclopentyl-3,6-dihydro-2H-pyridine-4-carboxylic acid

1-cyclopentyl-3,6-dihydro-2H-pyridine-4-carboxylic acid (PubChem CID 117003144) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-cyclopentyl-3,6-dihydro-2H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-cyclopentyl-3,6-dihydro-2H-pyridine-4-carboxylic acid
PubChem CID117003144
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-cyclopentyl-3,6-dihydro-2H-pyridine-4-carboxylic acid
SMILESO=C(O)C1=CCN(C2CCCC2)CC1
InChIInChI=1S/C11H17NO2/c13-11(14)9-5-7-12(8-6-9)10-3-1-2-4-10/h5,10H,1-4,6-8H2,(H,13,14)
InChIKeyDUBLLKGLPNHNSK-UHFFFAOYSA-N
XLogP1.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 152661850
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1-cyclohexyl-2-oxo-3H-pyrrole-4-carboxylic acid
CID 83820597
1-(1-cyclopentylpiperidin-4-yl)azepane;oxalic acid
CID 17369286
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CID 138676614
1-[4-[(1-cyclohexylpiperidin-4-ylidene)-phenylmethyl]phenyl]ethanone
CID 23383773
1,3-dicyclohexyl-6-methyl-2,4-dihydropyrimidine
CID 177475844
1-cyclopentyltetrazole-5-carboxylic acid
CID 83875985
1-cyclobutylpyrrolidin-3-one
CID 62416933
methyl (7E)-2,3,4,6,9,10,11,11a-octahydro-1H-pyrido[1,2-a]azocine-7-carboxylate
CID 16744516

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3,6-dihydro-2H-pyridine-4-carboxylic acid?
The IUPAC name of 1-cyclopentyl-3,6-dihydro-2H-pyridine-4-carboxylic acid (CID 117003144) is 1-cyclopentyl-3,6-dihydro-2H-pyridine-4-carboxylic acid.
What is the SMILES notation for 1-cyclopentyl-3,6-dihydro-2H-pyridine-4-carboxylic acid?
The canonical SMILES for 1-cyclopentyl-3,6-dihydro-2H-pyridine-4-carboxylic acid is O=C(O)C1=CCN(C2CCCC2)CC1.
What is the InChIKey of 1-cyclopentyl-3,6-dihydro-2H-pyridine-4-carboxylic acid?
The InChIKey is DUBLLKGLPNHNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c13-11(14)9-5-7-12(8-6-9)10-3-1-2-4-10/h5,10H,1-4,6-8H2,(H,13,14).
What are the key properties of 1-cyclopentyl-3,6-dihydro-2H-pyridine-4-carboxylic acid?
1-cyclopentyl-3,6-dihydro-2H-pyridine-4-carboxylic acid has a molecular weight of 195.26 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3,6-dihydro-2H-pyridine-4-carboxylic acid is sourced from PubChem (CID 117003144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).