1-(bromomethyl)cyclopropane-1-carbonitrile

C5H6BrN — CID 69018359

IUPAC1-(bromomethyl)cyclopropane-1-carbonitrile
SMILESN#CC1(CBr)CC1
InChIInChI=1S/C5H6BrN/c6-3-5(4-7)1-2-5/h1-3H2
InChIKeyXWUVFNLWVDQBRJ-UHFFFAOYSA-N
MW160.01 g/mol
LogP1.69
Rot. Bonds1

About 1-(bromomethyl)cyclopropane-1-carbonitrile

1-(bromomethyl)cyclopropane-1-carbonitrile (PubChem CID 69018359) has the molecular formula C5H6BrN and a molecular weight of 160.01 g/mol. Its IUPAC name is 1-(bromomethyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(bromomethyl)cyclopropane-1-carbonitrile
PubChem CID69018359
Molecular FormulaC5H6BrN
Molecular Weight160.01 g/mol
Exact Mass158.97
IUPAC Name1-(bromomethyl)cyclopropane-1-carbonitrile
SMILESN#CC1(CBr)CC1
InChIInChI=1S/C5H6BrN/c6-3-5(4-7)1-2-5/h1-3H2
InChIKeyXWUVFNLWVDQBRJ-UHFFFAOYSA-N
XLogP1.69
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.01
LogP ≤ 51.69
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 1-(bromomethyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(bromomethyl)cyclopropane-1-carbonitrile (CID 69018359) is 1-(bromomethyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(bromomethyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(bromomethyl)cyclopropane-1-carbonitrile is N#CC1(CBr)CC1.
What is the InChIKey of 1-(bromomethyl)cyclopropane-1-carbonitrile?
The InChIKey is XWUVFNLWVDQBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrN/c6-3-5(4-7)1-2-5/h1-3H2.
What are the key properties of 1-(bromomethyl)cyclopropane-1-carbonitrile?
1-(bromomethyl)cyclopropane-1-carbonitrile has a molecular weight of 160.01 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 69018359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).