2-acetyl-2-ethyl-3-methylbutanenitrile

C9H15NO — CID 141089775

IUPAC2-acetyl-2-ethyl-3-methylbutanenitrile
SMILESCCC(C#N)(C(C)=O)C(C)C
InChIInChI=1S/C9H15NO/c1-5-9(6-10,7(2)3)8(4)11/h7H,5H2,1-4H3
InChIKeyHOCIYJSYEQLHFE-UHFFFAOYSA-N
MW153.22 g/mol
LogP2.15
Rot. Bonds3

About 2-acetyl-2-ethyl-3-methylbutanenitrile

2-acetyl-2-ethyl-3-methylbutanenitrile (PubChem CID 141089775) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-acetyl-2-ethyl-3-methylbutanenitrile.

Molecular Properties

Compound Name2-acetyl-2-ethyl-3-methylbutanenitrile
PubChem CID141089775
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-acetyl-2-ethyl-3-methylbutanenitrile
SMILESCCC(C#N)(C(C)=O)C(C)C
InChIInChI=1S/C9H15NO/c1-5-9(6-10,7(2)3)8(4)11/h7H,5H2,1-4H3
InChIKeyHOCIYJSYEQLHFE-UHFFFAOYSA-N
XLogP2.15
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-acetyl-2-ethyl-3-methylbutanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyano-2-ethyl-3-oxobutanoic acid
CID 18464143
2-ethyl-2-methyl-3-oxobutanenitrile
CID 65393177
(Z)-2-cyano-3-methyl-2-propan-2-ylhex-3-enoic acid
CID 5381662
diethyl 2-cyano-2-ethyl-3-(2-methylpropyl)butanedioate
CID 141477098
2-[(2R)-2-ethyl-2-methyl-3-oxobutyl]propanedinitrile
CID 7568193
2,2-diethoxy-3-oxobutanenitrile
CID 57185077
2-(ethylamino)-3-methyl-2-propan-2-ylbutanenitrile
CID 141254263
2-ethoxy-2-ethyl-3-methylbutanoic acid
CID 116768994
2-cyano-3-ethyl-2,3-dimethylbutanedioic acid
CID 57185326
2-cyano-3-ethyl-2-propylbutanedioic acid
CID 151105351
N-(3-cyanopentan-3-yl)-3-methylbutanamide
CID 61121009
(2S)-2-amino-2-ethyl-3-methylbutanoic acid
CID 54561958

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-2-ethyl-3-methylbutanenitrile?
The IUPAC name of 2-acetyl-2-ethyl-3-methylbutanenitrile (CID 141089775) is 2-acetyl-2-ethyl-3-methylbutanenitrile.
What is the SMILES notation for 2-acetyl-2-ethyl-3-methylbutanenitrile?
The canonical SMILES for 2-acetyl-2-ethyl-3-methylbutanenitrile is CCC(C#N)(C(C)=O)C(C)C.
What is the InChIKey of 2-acetyl-2-ethyl-3-methylbutanenitrile?
The InChIKey is HOCIYJSYEQLHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-5-9(6-10,7(2)3)8(4)11/h7H,5H2,1-4H3.
What are the key properties of 2-acetyl-2-ethyl-3-methylbutanenitrile?
2-acetyl-2-ethyl-3-methylbutanenitrile has a molecular weight of 153.22 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-2-ethyl-3-methylbutanenitrile is sourced from PubChem (CID 141089775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).