1-(2,4-dichlorophenyl)cyclopropane-1-carbonitrile

C10H7Cl2N — CID 1268258

IUPAC1-(2,4-dichlorophenyl)cyclopropane-1-carbonitrile
SMILESN#CC1(c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C10H7Cl2N/c11-7-1-2-8(9(12)5-7)10(6-13)3-4-10/h1-2,5H,3-4H2
InChIKeyVDKKBWVLLSVWKI-UHFFFAOYSA-N
MW212.08 g/mol
LogP3.55
Rot. Bonds1

About 1-(2,4-dichlorophenyl)cyclopropane-1-carbonitrile

1-(2,4-dichlorophenyl)cyclopropane-1-carbonitrile (PubChem CID 1268258) has the molecular formula C10H7Cl2N and a molecular weight of 212.08 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)cyclopropane-1-carbonitrile
PubChem CID1268258
Molecular FormulaC10H7Cl2N
Molecular Weight212.08 g/mol
Exact Mass211.00
IUPAC Name1-(2,4-dichlorophenyl)cyclopropane-1-carbonitrile
SMILESN#CC1(c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C10H7Cl2N/c11-7-1-2-8(9(12)5-7)10(6-13)3-4-10/h1-2,5H,3-4H2
InChIKeyVDKKBWVLLSVWKI-UHFFFAOYSA-N
XLogP3.55
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.08
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(2,4-dichlorophenyl)cyclopropane-1-carbonitrile (CID 1268258) is 1-(2,4-dichlorophenyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(2,4-dichlorophenyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(2,4-dichlorophenyl)cyclopropane-1-carbonitrile is N#CC1(c2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 1-(2,4-dichlorophenyl)cyclopropane-1-carbonitrile?
The InChIKey is VDKKBWVLLSVWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N/c11-7-1-2-8(9(12)5-7)10(6-13)3-4-10/h1-2,5H,3-4H2.
What are the key properties of 1-(2,4-dichlorophenyl)cyclopropane-1-carbonitrile?
1-(2,4-dichlorophenyl)cyclopropane-1-carbonitrile has a molecular weight of 212.08 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 1268258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).