2-(3-acetyl-2,2-dimethylcyclobutyl)acetonitrile

C10H15NO — CID 5114473

IUPAC2-(3-acetyl-2,2-dimethylcyclobutyl)acetonitrile
SMILESCC(=O)C1CC(CC#N)C1(C)C
InChIInChI=1S/C10H15NO/c1-7(12)9-6-8(4-5-11)10(9,2)3/h8-9H,4,6H2,1-3H3
InChIKeyVILTYDDIGXXGBZ-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.15
Rot. Bonds2

About 2-(3-acetyl-2,2-dimethylcyclobutyl)acetonitrile

2-(3-acetyl-2,2-dimethylcyclobutyl)acetonitrile (PubChem CID 5114473) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-(3-acetyl-2,2-dimethylcyclobutyl)acetonitrile.

Molecular Properties

Compound Name2-(3-acetyl-2,2-dimethylcyclobutyl)acetonitrile
PubChem CID5114473
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-(3-acetyl-2,2-dimethylcyclobutyl)acetonitrile
SMILESCC(=O)C1CC(CC#N)C1(C)C
InChIInChI=1S/C10H15NO/c1-7(12)9-6-8(4-5-11)10(9,2)3/h8-9H,4,6H2,1-3H3
InChIKeyVILTYDDIGXXGBZ-UHFFFAOYSA-N
XLogP2.15
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyl-2,2-dimethylcyclobutyl)acetonitrile?
The IUPAC name of 2-(3-acetyl-2,2-dimethylcyclobutyl)acetonitrile (CID 5114473) is 2-(3-acetyl-2,2-dimethylcyclobutyl)acetonitrile.
What is the SMILES notation for 2-(3-acetyl-2,2-dimethylcyclobutyl)acetonitrile?
The canonical SMILES for 2-(3-acetyl-2,2-dimethylcyclobutyl)acetonitrile is CC(=O)C1CC(CC#N)C1(C)C.
What is the InChIKey of 2-(3-acetyl-2,2-dimethylcyclobutyl)acetonitrile?
The InChIKey is VILTYDDIGXXGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-7(12)9-6-8(4-5-11)10(9,2)3/h8-9H,4,6H2,1-3H3.
What are the key properties of 2-(3-acetyl-2,2-dimethylcyclobutyl)acetonitrile?
2-(3-acetyl-2,2-dimethylcyclobutyl)acetonitrile has a molecular weight of 165.24 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetyl-2,2-dimethylcyclobutyl)acetonitrile is sourced from PubChem (CID 5114473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).