(3-methylcyclopentyl)-pyridin-3-ylmethanone

C12H15NO — CID 65402744

IUPAC(3-methylcyclopentyl)-pyridin-3-ylmethanone
SMILESCC1CCC(C(=O)c2cccnc2)C1
InChIInChI=1S/C12H15NO/c1-9-4-5-10(7-9)12(14)11-3-2-6-13-8-11/h2-3,6,8-10H,4-5,7H2,1H3
InChIKeyRELGMIQPKIZEKC-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.70
Rot. Bonds2

About (3-methylcyclopentyl)-pyridin-3-ylmethanone

(3-methylcyclopentyl)-pyridin-3-ylmethanone (PubChem CID 65402744) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (3-methylcyclopentyl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(3-methylcyclopentyl)-pyridin-3-ylmethanone
PubChem CID65402744
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(3-methylcyclopentyl)-pyridin-3-ylmethanone
SMILESCC1CCC(C(=O)c2cccnc2)C1
InChIInChI=1S/C12H15NO/c1-9-4-5-10(7-9)12(14)11-3-2-6-13-8-11/h2-3,6,8-10H,4-5,7H2,1H3
InChIKeyRELGMIQPKIZEKC-UHFFFAOYSA-N
XLogP2.70
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

oxan-4-yl(pyridin-3-yl)methanone
CID 11321445
piperidin-4-yl(pyridin-3-yl)methanone;hydrochloride
CID 46736476
[(3S)-3-methylcyclohexyl]-phenylmethanone
CID 134867416
2-(aminomethyl)-5-(pyridine-3-carbonyl)cyclohexane-1-carboxamide;pyridine
CID 174443185
pyridin-3-yl(spiro[3.3]heptan-2-yl)methanone
CID 164649275
3-(pyridine-3-carbonyl)bicyclo[3.2.1]octane-2,4-dione
CID 58332847
piperidin-3-yl(pyridin-3-yl)methanone;dihydrochloride
CID 73012650
(3-methyl-1,4-dithian-2-yl)-pyridin-3-ylmethanone
CID 115385690
(2-chlorophenyl)-(3-methylcyclopentyl)methanone
CID 65402941
1-[4-(pyridine-3-carbonyl)piperidin-1-yl]prop-2-en-1-one
CID 152798944
N-[3-(cyclopropanecarbonyl)phenyl]pyridine-3-carboxamide
CID 82122759
[4-(4-iodophenyl)phenyl]-(3-methylcyclopentyl)methanone
CID 142053699

Frequently Asked Questions

What is the IUPAC name of (3-methylcyclopentyl)-pyridin-3-ylmethanone?
The IUPAC name of (3-methylcyclopentyl)-pyridin-3-ylmethanone (CID 65402744) is (3-methylcyclopentyl)-pyridin-3-ylmethanone.
What is the SMILES notation for (3-methylcyclopentyl)-pyridin-3-ylmethanone?
The canonical SMILES for (3-methylcyclopentyl)-pyridin-3-ylmethanone is CC1CCC(C(=O)c2cccnc2)C1.
What is the InChIKey of (3-methylcyclopentyl)-pyridin-3-ylmethanone?
The InChIKey is RELGMIQPKIZEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-9-4-5-10(7-9)12(14)11-3-2-6-13-8-11/h2-3,6,8-10H,4-5,7H2,1H3.
What are the key properties of (3-methylcyclopentyl)-pyridin-3-ylmethanone?
(3-methylcyclopentyl)-pyridin-3-ylmethanone has a molecular weight of 189.26 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclopentyl)-pyridin-3-ylmethanone is sourced from PubChem (CID 65402744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).