1-(bromomethyl)cyclopropane-1-carbonitrile;ethane

C7H12BrN — CID 177217868

IUPAC1-(bromomethyl)cyclopropane-1-carbonitrile;ethane
SMILESCC.N#CC1(CBr)CC1
InChIInChI=1S/C5H6BrN.C2H6/c6-3-5(4-7)1-2-5;1-2/h1-3H2;1-2H3
InChIKeyWIJWKOUXGAHOFZ-UHFFFAOYSA-N
MW190.08 g/mol
LogP2.71
Rot. Bonds1

About 1-(bromomethyl)cyclopropane-1-carbonitrile;ethane

1-(bromomethyl)cyclopropane-1-carbonitrile;ethane (PubChem CID 177217868) has the molecular formula C7H12BrN and a molecular weight of 190.08 g/mol. Its IUPAC name is 1-(bromomethyl)cyclopropane-1-carbonitrile;ethane.

Molecular Properties

Compound Name1-(bromomethyl)cyclopropane-1-carbonitrile;ethane
PubChem CID177217868
Molecular FormulaC7H12BrN
Molecular Weight190.08 g/mol
Exact Mass189.02
IUPAC Name1-(bromomethyl)cyclopropane-1-carbonitrile;ethane
SMILESCC.N#CC1(CBr)CC1
InChIInChI=1S/C5H6BrN.C2H6/c6-3-5(4-7)1-2-5;1-2/h1-3H2;1-2H3
InChIKeyWIJWKOUXGAHOFZ-UHFFFAOYSA-N
XLogP2.71
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.08
LogP ≤ 52.71
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;ethane?
The IUPAC name of 1-(bromomethyl)cyclopropane-1-carbonitrile;ethane (CID 177217868) is 1-(bromomethyl)cyclopropane-1-carbonitrile;ethane.
What is the SMILES notation for 1-(bromomethyl)cyclopropane-1-carbonitrile;ethane?
The canonical SMILES for 1-(bromomethyl)cyclopropane-1-carbonitrile;ethane is CC.N#CC1(CBr)CC1.
What is the InChIKey of 1-(bromomethyl)cyclopropane-1-carbonitrile;ethane?
The InChIKey is WIJWKOUXGAHOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrN.C2H6/c6-3-5(4-7)1-2-5;1-2/h1-3H2;1-2H3.
What are the key properties of 1-(bromomethyl)cyclopropane-1-carbonitrile;ethane?
1-(bromomethyl)cyclopropane-1-carbonitrile;ethane has a molecular weight of 190.08 g/mol, XLogP of 2.71, 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;ethane is sourced from PubChem (CID 177217868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).