2-(3,3-dimethylcyclobutyl)acetonitrile

C8H13N — CID 14789762

IUPAC2-(3,3-dimethylcyclobutyl)acetonitrile
SMILESCC1(C)CC(CC#N)C1
InChIInChI=1S/C8H13N/c1-8(2)5-7(6-8)3-4-9/h7H,3,5-6H2,1-2H3
InChIKeyCILLCBIISHUFGI-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.34
Rot. Bonds1

About 2-(3,3-dimethylcyclobutyl)acetonitrile

2-(3,3-dimethylcyclobutyl)acetonitrile (PubChem CID 14789762) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 2-(3,3-dimethylcyclobutyl)acetonitrile.

Molecular Properties

Compound Name2-(3,3-dimethylcyclobutyl)acetonitrile
PubChem CID14789762
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name2-(3,3-dimethylcyclobutyl)acetonitrile
SMILESCC1(C)CC(CC#N)C1
InChIInChI=1S/C8H13N/c1-8(2)5-7(6-8)3-4-9/h7H,3,5-6H2,1-2H3
InChIKeyCILLCBIISHUFGI-UHFFFAOYSA-N
XLogP2.34
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylcyclobutyl)acetonitrile?
The IUPAC name of 2-(3,3-dimethylcyclobutyl)acetonitrile (CID 14789762) is 2-(3,3-dimethylcyclobutyl)acetonitrile.
What is the SMILES notation for 2-(3,3-dimethylcyclobutyl)acetonitrile?
The canonical SMILES for 2-(3,3-dimethylcyclobutyl)acetonitrile is CC1(C)CC(CC#N)C1.
What is the InChIKey of 2-(3,3-dimethylcyclobutyl)acetonitrile?
The InChIKey is CILLCBIISHUFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-8(2)5-7(6-8)3-4-9/h7H,3,5-6H2,1-2H3.
What are the key properties of 2-(3,3-dimethylcyclobutyl)acetonitrile?
2-(3,3-dimethylcyclobutyl)acetonitrile has a molecular weight of 123.20 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylcyclobutyl)acetonitrile is sourced from PubChem (CID 14789762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).