3-(2-chlorocyclopropyl)-2-methylpropanenitrile

C7H10ClN — CID 175322632

IUPAC3-(2-chlorocyclopropyl)-2-methylpropanenitrile
SMILESCC(C#N)CC1CC1Cl
InChIInChI=1S/C7H10ClN/c1-5(4-9)2-6-3-7(6)8/h5-7H,2-3H2,1H3
InChIKeyQGLPVNRKBZKWOD-UHFFFAOYSA-N
MW143.62 g/mol
LogP2.16
Rot. Bonds2

About 3-(2-chlorocyclopropyl)-2-methylpropanenitrile

3-(2-chlorocyclopropyl)-2-methylpropanenitrile (PubChem CID 175322632) has the molecular formula C7H10ClN and a molecular weight of 143.62 g/mol. Its IUPAC name is 3-(2-chlorocyclopropyl)-2-methylpropanenitrile.

Molecular Properties

Compound Name3-(2-chlorocyclopropyl)-2-methylpropanenitrile
PubChem CID175322632
Molecular FormulaC7H10ClN
Molecular Weight143.62 g/mol
Exact Mass143.05
IUPAC Name3-(2-chlorocyclopropyl)-2-methylpropanenitrile
SMILESCC(C#N)CC1CC1Cl
InChIInChI=1S/C7H10ClN/c1-5(4-9)2-6-3-7(6)8/h5-7H,2-3H2,1H3
InChIKeyQGLPVNRKBZKWOD-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
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 3-(2-chlorocyclopropyl)-2-methylpropanenitrile?
The IUPAC name of 3-(2-chlorocyclopropyl)-2-methylpropanenitrile (CID 175322632) is 3-(2-chlorocyclopropyl)-2-methylpropanenitrile.
What is the SMILES notation for 3-(2-chlorocyclopropyl)-2-methylpropanenitrile?
The canonical SMILES for 3-(2-chlorocyclopropyl)-2-methylpropanenitrile is CC(C#N)CC1CC1Cl.
What is the InChIKey of 3-(2-chlorocyclopropyl)-2-methylpropanenitrile?
The InChIKey is QGLPVNRKBZKWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN/c1-5(4-9)2-6-3-7(6)8/h5-7H,2-3H2,1H3.
What are the key properties of 3-(2-chlorocyclopropyl)-2-methylpropanenitrile?
3-(2-chlorocyclopropyl)-2-methylpropanenitrile has a molecular weight of 143.62 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorocyclopropyl)-2-methylpropanenitrile is sourced from PubChem (CID 175322632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).