2-(1-amino-2-oxopropyl)benzonitrile

C10H10N2O — CID 55294703

IUPAC2-(1-amino-2-oxopropyl)benzonitrile
SMILESCC(=O)C(N)c1ccccc1C#N
InChIInChI=1S/C10H10N2O/c1-7(13)10(12)9-5-3-2-4-8(9)6-11/h2-5,10H,12H2,1H3
InChIKeyGLNBZXHXMHUQKM-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.15
Rot. Bonds2

About 2-(1-amino-2-oxopropyl)benzonitrile

2-(1-amino-2-oxopropyl)benzonitrile (PubChem CID 55294703) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-(1-amino-2-oxopropyl)benzonitrile.

Molecular Properties

Compound Name2-(1-amino-2-oxopropyl)benzonitrile
PubChem CID55294703
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name2-(1-amino-2-oxopropyl)benzonitrile
SMILESCC(=O)C(N)c1ccccc1C#N
InChIInChI=1S/C10H10N2O/c1-7(13)10(12)9-5-3-2-4-8(9)6-11/h2-5,10H,12H2,1H3
InChIKeyGLNBZXHXMHUQKM-UHFFFAOYSA-N
XLogP1.15
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-amino-2-(2-cyanophenyl)acetate
CID 130692626
2-[amino(hydroxy)methyl]benzonitrile
CID 22991713
2-(1-amino-2-oxopropyl)-6-fluorobenzonitrile
CID 55296124
1-amino-1-(2-methylphenyl)propan-2-one
CID 55295097
2-(1-amino-2-hydroxypropyl)benzonitrile
CID 55294755
1-amino-1-(2-bromophenyl)propan-2-one
CID 116859743
2-[(1S,2R)-1-amino-2-hydroxypropyl]benzonitrile;hydrochloride
CID 171267325
diethyl 2-(2-cyanophenyl)propanedioate
CID 13050091
ethyl 2-(2-cyanophenyl)-2-hydroxyacetate
CID 75251664
2-amino-3-(1-chloro-2-oxopropyl)benzonitrile
CID 130779131
acetic acid;benzene-1,2-dicarbonitrile;molecular nitrogen
CID 174519097
5-(1-amino-2-oxopropyl)-2-fluorobenzonitrile
CID 55296121

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-oxopropyl)benzonitrile?
The IUPAC name of 2-(1-amino-2-oxopropyl)benzonitrile (CID 55294703) is 2-(1-amino-2-oxopropyl)benzonitrile.
What is the SMILES notation for 2-(1-amino-2-oxopropyl)benzonitrile?
The canonical SMILES for 2-(1-amino-2-oxopropyl)benzonitrile is CC(=O)C(N)c1ccccc1C#N.
What is the InChIKey of 2-(1-amino-2-oxopropyl)benzonitrile?
The InChIKey is GLNBZXHXMHUQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-7(13)10(12)9-5-3-2-4-8(9)6-11/h2-5,10H,12H2,1H3.
What are the key properties of 2-(1-amino-2-oxopropyl)benzonitrile?
2-(1-amino-2-oxopropyl)benzonitrile has a molecular weight of 174.20 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-oxopropyl)benzonitrile is sourced from PubChem (CID 55294703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).