2-(4-chloroanilino)cyclopentene-1-carbonitrile

C12H11ClN2 — CID 612513

IUPAC2-(4-chloroanilino)cyclopentene-1-carbonitrile
SMILESN#CC1=C(Nc2ccc(Cl)cc2)CCC1
InChIInChI=1S/C12H11ClN2/c13-10-4-6-11(7-5-10)15-12-3-1-2-9(12)8-14/h4-7,15H,1-3H2
InChIKeyNECOTOQFSAVDFN-UHFFFAOYSA-N
MW218.69 g/mol
LogP3.71
Rot. Bonds2

About 2-(4-chloroanilino)cyclopentene-1-carbonitrile

2-(4-chloroanilino)cyclopentene-1-carbonitrile (PubChem CID 612513) has the molecular formula C12H11ClN2 and a molecular weight of 218.69 g/mol. Its IUPAC name is 2-(4-chloroanilino)cyclopentene-1-carbonitrile.

Molecular Properties

Compound Name2-(4-chloroanilino)cyclopentene-1-carbonitrile
PubChem CID612513
Molecular FormulaC12H11ClN2
Molecular Weight218.69 g/mol
Exact Mass218.06
IUPAC Name2-(4-chloroanilino)cyclopentene-1-carbonitrile
SMILESN#CC1=C(Nc2ccc(Cl)cc2)CCC1
InChIInChI=1S/C12H11ClN2/c13-10-4-6-11(7-5-10)15-12-3-1-2-9(12)8-14/h4-7,15H,1-3H2
InChIKeyNECOTOQFSAVDFN-UHFFFAOYSA-N
XLogP3.71
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.69
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Acetamide, N-(4-chlorophenyl)-2-cyano-
CID 87269
4-Chloro-N-phenylaniline
CID 14570
4-chloro-N-propylaniline
CID 12512909
2-[Amino(3-chloroanilino)methylene]malononitrile
CID 2747554
3-(3-Chloro-phenylamino)-propionitrile
CID 287594
4-Chloro-N-ethylbenzenamine
CID 587841
3-(4-Chloroanilino)propionitrile
CID 1580562
3-[(4-Chlorophenyl)amino]-2-cyano-2-butenamide
CID 785929
2-[3-(4-Chloroanilino)-3-(4-chlorophenyl)prop-2-enylidene]malononitrile
CID 5713198
4-Chloro-N-isopropylaniline
CID 69864
Bis(p-chlorophenyl)amine
CID 234111
Propanenitrile, 3-[(2-chlorophenyl)amino]-
CID 66758

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)cyclopentene-1-carbonitrile?
The IUPAC name of 2-(4-chloroanilino)cyclopentene-1-carbonitrile (CID 612513) is 2-(4-chloroanilino)cyclopentene-1-carbonitrile.
What is the SMILES notation for 2-(4-chloroanilino)cyclopentene-1-carbonitrile?
The canonical SMILES for 2-(4-chloroanilino)cyclopentene-1-carbonitrile is N#CC1=C(Nc2ccc(Cl)cc2)CCC1.
What is the InChIKey of 2-(4-chloroanilino)cyclopentene-1-carbonitrile?
The InChIKey is NECOTOQFSAVDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2/c13-10-4-6-11(7-5-10)15-12-3-1-2-9(12)8-14/h4-7,15H,1-3H2.
What are the key properties of 2-(4-chloroanilino)cyclopentene-1-carbonitrile?
2-(4-chloroanilino)cyclopentene-1-carbonitrile has a molecular weight of 218.69 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)cyclopentene-1-carbonitrile is sourced from PubChem (CID 612513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).