1,2-dihydropyridin-4-yl(phenyl)methanone

C12H11NO — CID 129156998

IUPAC1,2-dihydropyridin-4-yl(phenyl)methanone
SMILESO=C(C1=CCNC=C1)c1ccccc1
InChIInChI=1S/C12H11NO/c14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11/h1-8,13H,9H2
InChIKeyQRMZEVKFXONYLS-UHFFFAOYSA-N
MW185.23 g/mol
LogP1.91
Rot. Bonds2

About 1,2-dihydropyridin-4-yl(phenyl)methanone

1,2-dihydropyridin-4-yl(phenyl)methanone (PubChem CID 129156998) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 1,2-dihydropyridin-4-yl(phenyl)methanone.

Molecular Properties

Compound Name1,2-dihydropyridin-4-yl(phenyl)methanone
PubChem CID129156998
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name1,2-dihydropyridin-4-yl(phenyl)methanone
SMILESO=C(C1=CCNC=C1)c1ccccc1
InChIInChI=1S/C12H11NO/c14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11/h1-8,13H,9H2
InChIKeyQRMZEVKFXONYLS-UHFFFAOYSA-N
XLogP1.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

diphenylmethanone
CID 3102
4-benzoylcyclohexa-2,4-diene-1,1-dicarbonyl chloride
CID 88606159
bis(carbonochloridic acid);(4,4-dihydroxycyclohexa-1,5-dien-1-yl)-phenylmethanone
CID 160659155
(4-chloro-4-fluorocyclohexa-1,5-dien-1-yl)-phenylmethanone
CID 70090183
bis(diphenylmethanone);dihydrochloride
CID 69107757
diphenylmethanone;gold
CID 174931146
disodium;diphenylmethanone
CID 19380838
cobalt(2+);diphenylmethanone
CID 19033779
(1-benzyl-2H-pyridin-4-yl)-phenylmethanone
CID 20805356
diphenylmethanone;ethane
CID 158014879
diphenylmethanone;hydron;fluoride
CID 21465824
magnesium;diphenylmethanone;hydride
CID 175114327

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydropyridin-4-yl(phenyl)methanone?
The IUPAC name of 1,2-dihydropyridin-4-yl(phenyl)methanone (CID 129156998) is 1,2-dihydropyridin-4-yl(phenyl)methanone.
What is the SMILES notation for 1,2-dihydropyridin-4-yl(phenyl)methanone?
The canonical SMILES for 1,2-dihydropyridin-4-yl(phenyl)methanone is O=C(C1=CCNC=C1)c1ccccc1.
What is the InChIKey of 1,2-dihydropyridin-4-yl(phenyl)methanone?
The InChIKey is QRMZEVKFXONYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11/h1-8,13H,9H2.
What are the key properties of 1,2-dihydropyridin-4-yl(phenyl)methanone?
1,2-dihydropyridin-4-yl(phenyl)methanone has a molecular weight of 185.23 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydropyridin-4-yl(phenyl)methanone is sourced from PubChem (CID 129156998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).