(2R)-2-(3-acetylphenyl)propanenitrile

C11H11NO — CID 124562052

IUPAC(2R)-2-(3-acetylphenyl)propanenitrile
SMILESCC(=O)c1cccc([C@@H](C)C#N)c1
InChIInChI=1S/C11H11NO/c1-8(7-12)10-4-3-5-11(6-10)9(2)13/h3-6,8H,1-2H3/t8-/m0/s1
InChIKeyUORAHYVJWIQFAO-QMMMGPOBSA-N
MW173.21 g/mol
LogP2.52
Rot. Bonds2

About (2R)-2-(3-acetylphenyl)propanenitrile

(2R)-2-(3-acetylphenyl)propanenitrile (PubChem CID 124562052) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is (2R)-2-(3-acetylphenyl)propanenitrile.

Molecular Properties

Compound Name(2R)-2-(3-acetylphenyl)propanenitrile
PubChem CID124562052
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name(2R)-2-(3-acetylphenyl)propanenitrile
SMILESCC(=O)c1cccc([C@@H](C)C#N)c1
InChIInChI=1S/C11H11NO/c1-8(7-12)10-4-3-5-11(6-10)9(2)13/h3-6,8H,1-2H3/t8-/m0/s1
InChIKeyUORAHYVJWIQFAO-QMMMGPOBSA-N
XLogP2.52
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[(2R,5R)-5-phenylhept-3-yn-2-yl]phenyl]ethanone
CID 138911204
1-(3-acetylphenyl)ethyl acetate
CID 155934907
1-[3-[hydroxy(phenyl)methyl]phenyl]ethanone
CID 58616042
4-(3-acetylphenyl)sulfanylbutanenitrile
CID 64661502
N-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-3-(1-cyanoethyl)benzamide
CID 11955247
1-[3-(1-hydroxy-3-phenylprop-2-ynyl)phenyl]ethanone
CID 57326352
1-[3-(1-piperidin-4-ylethyl)phenyl]ethanone
CID 115038500
methyl 2-(3-acetylphenyl)-2-(3,5-dihydroxyphenyl)acetate
CID 23146991
1-(3-pent-3-yn-2-yloxyphenyl)ethanone
CID 118412024
1-[3-(4-propan-2-ylphenyl)phenyl]ethanone
CID 61034135
(2S)-2-(3-phenoxyphenyl)propanenitrile
CID 90362403
3-[1-(3-acetylphenyl)ethylamino]-4-methylcyclobut-3-ene-1,2-dione
CID 143748106

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-acetylphenyl)propanenitrile?
The IUPAC name of (2R)-2-(3-acetylphenyl)propanenitrile (CID 124562052) is (2R)-2-(3-acetylphenyl)propanenitrile.
What is the SMILES notation for (2R)-2-(3-acetylphenyl)propanenitrile?
The canonical SMILES for (2R)-2-(3-acetylphenyl)propanenitrile is CC(=O)c1cccc([C@@H](C)C#N)c1.
What is the InChIKey of (2R)-2-(3-acetylphenyl)propanenitrile?
The InChIKey is UORAHYVJWIQFAO-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H11NO/c1-8(7-12)10-4-3-5-11(6-10)9(2)13/h3-6,8H,1-2H3/t8-/m0/s1.
What are the key properties of (2R)-2-(3-acetylphenyl)propanenitrile?
(2R)-2-(3-acetylphenyl)propanenitrile has a molecular weight of 173.21 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-acetylphenyl)propanenitrile is sourced from PubChem (CID 124562052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).