2-methyl-3-pyridin-3-ylcyclopent-2-en-1-one

C11H11NO — CID 44561061

IUPAC2-methyl-3-pyridin-3-ylcyclopent-2-en-1-one
SMILESCC1=C(c2cccnc2)CCC1=O
InChIInChI=1S/C11H11NO/c1-8-10(4-5-11(8)13)9-3-2-6-12-7-9/h2-3,6-7H,4-5H2,1H3
InChIKeyBFAXFZRHASQEAL-UHFFFAOYSA-N
MW173.22 g/mol
LogP2.22
Rot. Bonds1

About 2-methyl-3-pyridin-3-ylcyclopent-2-en-1-one

2-methyl-3-pyridin-3-ylcyclopent-2-en-1-one (PubChem CID 44561061) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is 2-methyl-3-pyridin-3-ylcyclopent-2-en-1-one.

Molecular Properties

Compound Name2-methyl-3-pyridin-3-ylcyclopent-2-en-1-one
PubChem CID44561061
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC Name2-methyl-3-pyridin-3-ylcyclopent-2-en-1-one
SMILESCC1=C(c2cccnc2)CCC1=O
InChIInChI=1S/C11H11NO/c1-8-10(4-5-11(8)13)9-3-2-6-12-7-9/h2-3,6-7H,4-5H2,1H3
InChIKeyBFAXFZRHASQEAL-UHFFFAOYSA-N
XLogP2.22
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Cotinine
CID 854019
Metyrapone
CID 4174
3-Acetylpyridine
CID 9589
4-(Methylnitrosamino)-1-(3-Pyridyl)-1-Butanone
CID 47289
(+-)-Cotinine
CID 408
3-Butylpyridine
CID 10874
3-Pentylpyridine
CID 238307
4-Benzoylpyridine
CID 26731
4-Acetylpyridine
CID 14282
17-(3-Pyridinyl)androsta-4,16-dien-3-one
CID 196941
Phenyl-3-pyridinylmethanone
CID 21540
3-Isobutyl pyridine
CID 61715

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-pyridin-3-ylcyclopent-2-en-1-one?
The IUPAC name of 2-methyl-3-pyridin-3-ylcyclopent-2-en-1-one (CID 44561061) is 2-methyl-3-pyridin-3-ylcyclopent-2-en-1-one.
What is the SMILES notation for 2-methyl-3-pyridin-3-ylcyclopent-2-en-1-one?
The canonical SMILES for 2-methyl-3-pyridin-3-ylcyclopent-2-en-1-one is CC1=C(c2cccnc2)CCC1=O.
What is the InChIKey of 2-methyl-3-pyridin-3-ylcyclopent-2-en-1-one?
The InChIKey is BFAXFZRHASQEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-8-10(4-5-11(8)13)9-3-2-6-12-7-9/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 2-methyl-3-pyridin-3-ylcyclopent-2-en-1-one?
2-methyl-3-pyridin-3-ylcyclopent-2-en-1-one has a molecular weight of 173.22 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-pyridin-3-ylcyclopent-2-en-1-one is sourced from PubChem (CID 44561061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).