phenyl(2,3,4,5-tetrahydropyridin-2-yl)methanone

C12H13NO — CID 91417064

IUPACphenyl(2,3,4,5-tetrahydropyridin-2-yl)methanone
SMILESO=C(c1ccccc1)C1CCCC=N1
InChIInChI=1S/C12H13NO/c14-12(10-6-2-1-3-7-10)11-8-4-5-9-13-11/h1-3,6-7,9,11H,4-5,8H2
InChIKeyLCXBWUCFHHURFW-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.49
Rot. Bonds2

About phenyl(2,3,4,5-tetrahydropyridin-2-yl)methanone

phenyl(2,3,4,5-tetrahydropyridin-2-yl)methanone (PubChem CID 91417064) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is phenyl(2,3,4,5-tetrahydropyridin-2-yl)methanone.

Molecular Properties

Compound Namephenyl(2,3,4,5-tetrahydropyridin-2-yl)methanone
PubChem CID91417064
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Namephenyl(2,3,4,5-tetrahydropyridin-2-yl)methanone
SMILESO=C(c1ccccc1)C1CCCC=N1
InChIInChI=1S/C12H13NO/c14-12(10-6-2-1-3-7-10)11-8-4-5-9-13-11/h1-3,6-7,9,11H,4-5,8H2
InChIKeyLCXBWUCFHHURFW-UHFFFAOYSA-N
XLogP2.49
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(4-benzoylcyclohexyl)-phenylmethanone
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(2-methylcyclohex-2-en-1-yl)-phenylmethanone
CID 24976480
cyclohexyl(phenyl)methanone;molecular hydrogen
CID 143135360
[(1R,2R)-2-benzoylcyclopropyl]-phenylmethanone
CID 12564065
phenacyl cyclohex-2-ene-1-carboxylate
CID 2883093
(2-chlorocyclohexyl)-phenylmethanone
CID 15563657
2-benzoylcyclohexane-1-carbonyl chloride
CID 22288669
(2-methylcyclohexyl)-phenylmethanone
CID 13148606
azetidin-2-yl(phenyl)methanone
CID 84651225
1-[(1S,2R,3R)-3-benzoyl-2-methylcyclopentyl]ethanone
CID 102181829
1-[(1R,2S,3R)-3-benzoyl-2-methylcyclopentyl]ethanone
CID 102579014

Frequently Asked Questions

What is the IUPAC name of phenyl(2,3,4,5-tetrahydropyridin-2-yl)methanone?
The IUPAC name of phenyl(2,3,4,5-tetrahydropyridin-2-yl)methanone (CID 91417064) is phenyl(2,3,4,5-tetrahydropyridin-2-yl)methanone.
What is the SMILES notation for phenyl(2,3,4,5-tetrahydropyridin-2-yl)methanone?
The canonical SMILES for phenyl(2,3,4,5-tetrahydropyridin-2-yl)methanone is O=C(c1ccccc1)C1CCCC=N1.
What is the InChIKey of phenyl(2,3,4,5-tetrahydropyridin-2-yl)methanone?
The InChIKey is LCXBWUCFHHURFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c14-12(10-6-2-1-3-7-10)11-8-4-5-9-13-11/h1-3,6-7,9,11H,4-5,8H2.
What are the key properties of phenyl(2,3,4,5-tetrahydropyridin-2-yl)methanone?
phenyl(2,3,4,5-tetrahydropyridin-2-yl)methanone has a molecular weight of 187.24 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(2,3,4,5-tetrahydropyridin-2-yl)methanone is sourced from PubChem (CID 91417064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).