2-cyclopentyl-2-(3,4-dichlorophenyl)acetonitrile

C13H13Cl2N — CID 10244015

IUPAC2-cyclopentyl-2-(3,4-dichlorophenyl)acetonitrile
SMILESN#CC(c1ccc(Cl)c(Cl)c1)C1CCCC1
InChIInChI=1S/C13H13Cl2N/c14-12-6-5-10(7-13(12)15)11(8-16)9-3-1-2-4-9/h5-7,9,11H,1-4H2
InChIKeyMWISMDNUXLOMTQ-UHFFFAOYSA-N
MW254.16 g/mol
LogP4.79
Rot. Bonds2

About 2-cyclopentyl-2-(3,4-dichlorophenyl)acetonitrile

2-cyclopentyl-2-(3,4-dichlorophenyl)acetonitrile (PubChem CID 10244015) has the molecular formula C13H13Cl2N and a molecular weight of 254.16 g/mol. Its IUPAC name is 2-cyclopentyl-2-(3,4-dichlorophenyl)acetonitrile.

Molecular Properties

Compound Name2-cyclopentyl-2-(3,4-dichlorophenyl)acetonitrile
PubChem CID10244015
Molecular FormulaC13H13Cl2N
Molecular Weight254.16 g/mol
Exact Mass253.04
IUPAC Name2-cyclopentyl-2-(3,4-dichlorophenyl)acetonitrile
SMILESN#CC(c1ccc(Cl)c(Cl)c1)C1CCCC1
InChIInChI=1S/C13H13Cl2N/c14-12-6-5-10(7-13(12)15)11(8-16)9-3-1-2-4-9/h5-7,9,11H,1-4H2
InChIKeyMWISMDNUXLOMTQ-UHFFFAOYSA-N
XLogP4.79
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.16
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-(3,4-dichlorophenyl)acetonitrile?
The IUPAC name of 2-cyclopentyl-2-(3,4-dichlorophenyl)acetonitrile (CID 10244015) is 2-cyclopentyl-2-(3,4-dichlorophenyl)acetonitrile.
What is the SMILES notation for 2-cyclopentyl-2-(3,4-dichlorophenyl)acetonitrile?
The canonical SMILES for 2-cyclopentyl-2-(3,4-dichlorophenyl)acetonitrile is N#CC(c1ccc(Cl)c(Cl)c1)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-(3,4-dichlorophenyl)acetonitrile?
The InChIKey is MWISMDNUXLOMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N/c14-12-6-5-10(7-13(12)15)11(8-16)9-3-1-2-4-9/h5-7,9,11H,1-4H2.
What are the key properties of 2-cyclopentyl-2-(3,4-dichlorophenyl)acetonitrile?
2-cyclopentyl-2-(3,4-dichlorophenyl)acetonitrile has a molecular weight of 254.16 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-(3,4-dichlorophenyl)acetonitrile is sourced from PubChem (CID 10244015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).