1-(3-chloropropyl)cyclopropane-1-carbonitrile

C7H10ClN — CID 55301732

IUPAC1-(3-chloropropyl)cyclopropane-1-carbonitrile
SMILESN#CC1(CCCCl)CC1
InChIInChI=1S/C7H10ClN/c8-5-1-2-7(6-9)3-4-7/h1-5H2
InChIKeyFLBIHYMBJHSBKG-UHFFFAOYSA-N
MW143.62 g/mol
LogP2.31
Rot. Bonds3

About 1-(3-chloropropyl)cyclopropane-1-carbonitrile

1-(3-chloropropyl)cyclopropane-1-carbonitrile (PubChem CID 55301732) has the molecular formula C7H10ClN and a molecular weight of 143.62 g/mol. Its IUPAC name is 1-(3-chloropropyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(3-chloropropyl)cyclopropane-1-carbonitrile
PubChem CID55301732
Molecular FormulaC7H10ClN
Molecular Weight143.62 g/mol
Exact Mass143.05
IUPAC Name1-(3-chloropropyl)cyclopropane-1-carbonitrile
SMILESN#CC1(CCCCl)CC1
InChIInChI=1S/C7H10ClN/c8-5-1-2-7(6-9)3-4-7/h1-5H2
InChIKeyFLBIHYMBJHSBKG-UHFFFAOYSA-N
XLogP2.31
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.62
LogP ≤ 52.31
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-(3-chloropropyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(3-chloropropyl)cyclopropane-1-carbonitrile (CID 55301732) is 1-(3-chloropropyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(3-chloropropyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(3-chloropropyl)cyclopropane-1-carbonitrile is N#CC1(CCCCl)CC1.
What is the InChIKey of 1-(3-chloropropyl)cyclopropane-1-carbonitrile?
The InChIKey is FLBIHYMBJHSBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN/c8-5-1-2-7(6-9)3-4-7/h1-5H2.
What are the key properties of 1-(3-chloropropyl)cyclopropane-1-carbonitrile?
1-(3-chloropropyl)cyclopropane-1-carbonitrile has a molecular weight of 143.62 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropropyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 55301732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).