2-(3,3-diethylcyclobutyl)acetonitrile

C10H17N — CID 70345982

IUPAC2-(3,3-diethylcyclobutyl)acetonitrile
SMILESCCC1(CC)CC(CC#N)C1
InChIInChI=1S/C10H17N/c1-3-10(4-2)7-9(8-10)5-6-11/h9H,3-5,7-8H2,1-2H3
InChIKeySSRQLQMANKEUED-UHFFFAOYSA-N
MW151.25 g/mol
LogP3.12
Rot. Bonds3

About 2-(3,3-diethylcyclobutyl)acetonitrile

2-(3,3-diethylcyclobutyl)acetonitrile (PubChem CID 70345982) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 2-(3,3-diethylcyclobutyl)acetonitrile.

Molecular Properties

Compound Name2-(3,3-diethylcyclobutyl)acetonitrile
PubChem CID70345982
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name2-(3,3-diethylcyclobutyl)acetonitrile
SMILESCCC1(CC)CC(CC#N)C1
InChIInChI=1S/C10H17N/c1-3-10(4-2)7-9(8-10)5-6-11/h9H,3-5,7-8H2,1-2H3
InChIKeySSRQLQMANKEUED-UHFFFAOYSA-N
XLogP3.12
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-diethylcyclobutyl)acetonitrile?
The IUPAC name of 2-(3,3-diethylcyclobutyl)acetonitrile (CID 70345982) is 2-(3,3-diethylcyclobutyl)acetonitrile.
What is the SMILES notation for 2-(3,3-diethylcyclobutyl)acetonitrile?
The canonical SMILES for 2-(3,3-diethylcyclobutyl)acetonitrile is CCC1(CC)CC(CC#N)C1.
What is the InChIKey of 2-(3,3-diethylcyclobutyl)acetonitrile?
The InChIKey is SSRQLQMANKEUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-3-10(4-2)7-9(8-10)5-6-11/h9H,3-5,7-8H2,1-2H3.
What are the key properties of 2-(3,3-diethylcyclobutyl)acetonitrile?
2-(3,3-diethylcyclobutyl)acetonitrile has a molecular weight of 151.25 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-diethylcyclobutyl)acetonitrile is sourced from PubChem (CID 70345982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).