2-[3-(chloromethyl)cyclobutyl]acetonitrile

C7H10ClN — CID 59591176

IUPAC2-[3-(chloromethyl)cyclobutyl]acetonitrile
SMILESN#CCC1CC(CCl)C1
InChIInChI=1S/C7H10ClN/c8-5-7-3-6(4-7)1-2-9/h6-7H,1,3-5H2
InChIKeyNZZMGFAUPZTYOM-UHFFFAOYSA-N
MW143.62 g/mol
LogP2.17
Rot. Bonds2

About 2-[3-(chloromethyl)cyclobutyl]acetonitrile

2-[3-(chloromethyl)cyclobutyl]acetonitrile (PubChem CID 59591176) has the molecular formula C7H10ClN and a molecular weight of 143.62 g/mol. Its IUPAC name is 2-[3-(chloromethyl)cyclobutyl]acetonitrile.

Molecular Properties

Compound Name2-[3-(chloromethyl)cyclobutyl]acetonitrile
PubChem CID59591176
Molecular FormulaC7H10ClN
Molecular Weight143.62 g/mol
Exact Mass143.05
IUPAC Name2-[3-(chloromethyl)cyclobutyl]acetonitrile
SMILESN#CCC1CC(CCl)C1
InChIInChI=1S/C7H10ClN/c8-5-7-3-6(4-7)1-2-9/h6-7H,1,3-5H2
InChIKeyNZZMGFAUPZTYOM-UHFFFAOYSA-N
XLogP2.17
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.62
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(chloromethyl)cyclobutyl]acetonitrile?
The IUPAC name of 2-[3-(chloromethyl)cyclobutyl]acetonitrile (CID 59591176) is 2-[3-(chloromethyl)cyclobutyl]acetonitrile.
What is the SMILES notation for 2-[3-(chloromethyl)cyclobutyl]acetonitrile?
The canonical SMILES for 2-[3-(chloromethyl)cyclobutyl]acetonitrile is N#CCC1CC(CCl)C1.
What is the InChIKey of 2-[3-(chloromethyl)cyclobutyl]acetonitrile?
The InChIKey is NZZMGFAUPZTYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN/c8-5-7-3-6(4-7)1-2-9/h6-7H,1,3-5H2.
What are the key properties of 2-[3-(chloromethyl)cyclobutyl]acetonitrile?
2-[3-(chloromethyl)cyclobutyl]acetonitrile has a molecular weight of 143.62 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(chloromethyl)cyclobutyl]acetonitrile is sourced from PubChem (CID 59591176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).