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

C12H11BrN2 — CID 622051

IUPAC2-(4-bromoanilino)cyclopentene-1-carbonitrile
SMILESN#CC1=C(Nc2ccc(Br)cc2)CCC1
InChIInChI=1S/C12H11BrN2/c13-10-4-6-11(7-5-10)15-12-3-1-2-9(12)8-14/h4-7,15H,1-3H2
InChIKeyJZYWFBSSDYCXDG-UHFFFAOYSA-N
MW263.14 g/mol
LogP3.82
Rot. Bonds2

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

2-(4-bromoanilino)cyclopentene-1-carbonitrile (PubChem CID 622051) has the molecular formula C12H11BrN2 and a molecular weight of 263.14 g/mol. Its IUPAC name is 2-(4-bromoanilino)cyclopentene-1-carbonitrile.

Molecular Properties

Compound Name2-(4-bromoanilino)cyclopentene-1-carbonitrile
PubChem CID622051
Molecular FormulaC12H11BrN2
Molecular Weight263.14 g/mol
Exact Mass262.01
IUPAC Name2-(4-bromoanilino)cyclopentene-1-carbonitrile
SMILESN#CC1=C(Nc2ccc(Br)cc2)CCC1
InChIInChI=1S/C12H11BrN2/c13-10-4-6-11(7-5-10)15-12-3-1-2-9(12)8-14/h4-7,15H,1-3H2
InChIKeyJZYWFBSSDYCXDG-UHFFFAOYSA-N
XLogP3.82
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.14
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)cyclopentene-1-carbonitrile?
The IUPAC name of 2-(4-bromoanilino)cyclopentene-1-carbonitrile (CID 622051) is 2-(4-bromoanilino)cyclopentene-1-carbonitrile.
What is the SMILES notation for 2-(4-bromoanilino)cyclopentene-1-carbonitrile?
The canonical SMILES for 2-(4-bromoanilino)cyclopentene-1-carbonitrile is N#CC1=C(Nc2ccc(Br)cc2)CCC1.
What is the InChIKey of 2-(4-bromoanilino)cyclopentene-1-carbonitrile?
The InChIKey is JZYWFBSSDYCXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2/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-bromoanilino)cyclopentene-1-carbonitrile?
2-(4-bromoanilino)cyclopentene-1-carbonitrile has a molecular weight of 263.14 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)cyclopentene-1-carbonitrile is sourced from PubChem (CID 622051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).