5-bromo-2-[2-(cyclopenten-1-yl)ethylamino]benzonitrile

C14H15BrN2 — CID 106173601

IUPAC5-bromo-2-[2-(cyclopenten-1-yl)ethylamino]benzonitrile
SMILESN#Cc1cc(Br)ccc1NCCC1=CCCC1
InChIInChI=1S/C14H15BrN2/c15-13-5-6-14(12(9-13)10-16)17-8-7-11-3-1-2-4-11/h3,5-6,9,17H,1-2,4,7-8H2
InChIKeyFELMMKHFEGWPJH-UHFFFAOYSA-N
MW291.19 g/mol
LogP4.23
Rot. Bonds4

About 5-bromo-2-[2-(cyclopenten-1-yl)ethylamino]benzonitrile

5-bromo-2-[2-(cyclopenten-1-yl)ethylamino]benzonitrile (PubChem CID 106173601) has the molecular formula C14H15BrN2 and a molecular weight of 291.19 g/mol. Its IUPAC name is 5-bromo-2-[2-(cyclopenten-1-yl)ethylamino]benzonitrile.

Molecular Properties

Compound Name5-bromo-2-[2-(cyclopenten-1-yl)ethylamino]benzonitrile
PubChem CID106173601
Molecular FormulaC14H15BrN2
Molecular Weight291.19 g/mol
Exact Mass290.04
IUPAC Name5-bromo-2-[2-(cyclopenten-1-yl)ethylamino]benzonitrile
SMILESN#Cc1cc(Br)ccc1NCCC1=CCCC1
InChIInChI=1S/C14H15BrN2/c15-13-5-6-14(12(9-13)10-16)17-8-7-11-3-1-2-4-11/h3,5-6,9,17H,1-2,4,7-8H2
InChIKeyFELMMKHFEGWPJH-UHFFFAOYSA-N
XLogP4.23
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-[2-(cyclohexen-1-yl)ethylamino]benzonitrile
CID 63510110
2-[2-(cyclohexen-1-yl)ethylamino]-5-(trifluoromethyl)benzonitrile
CID 63509946
5-bromo-2-(prop-2-ynylamino)benzonitrile
CID 82708252
4-(4-bromo-2-cyanoanilino)butanoic acid
CID 82708343
5-bromo-2-[2-[cyclopentyl(methyl)amino]ethylamino]benzonitrile
CID 114890677
2-[2-(cyclopenten-1-yl)ethylamino]quinoline-4-carbonitrile
CID 103844235
2-(4-bromo-2-cyanoanilino)-N,N-dimethylethanesulfonamide
CID 106338562
5-bromo-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]benzonitrile
CID 113381723
3-bromo-4-[2-(cyclohexen-1-yl)ethylamino]benzoic acid
CID 114009477
N-[2-(4-bromo-2-cyanoanilino)ethyl]acetamide
CID 75519932
2-[2-(cyclopenten-1-yl)ethylamino]-6-methylsulfanylbenzonitrile
CID 106173597
2-(4-bromo-2-cyanoanilino)-N-methylethanesulfonamide
CID 114175304

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-(cyclopenten-1-yl)ethylamino]benzonitrile?
The IUPAC name of 5-bromo-2-[2-(cyclopenten-1-yl)ethylamino]benzonitrile (CID 106173601) is 5-bromo-2-[2-(cyclopenten-1-yl)ethylamino]benzonitrile.
What is the SMILES notation for 5-bromo-2-[2-(cyclopenten-1-yl)ethylamino]benzonitrile?
The canonical SMILES for 5-bromo-2-[2-(cyclopenten-1-yl)ethylamino]benzonitrile is N#Cc1cc(Br)ccc1NCCC1=CCCC1.
What is the InChIKey of 5-bromo-2-[2-(cyclopenten-1-yl)ethylamino]benzonitrile?
The InChIKey is FELMMKHFEGWPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2/c15-13-5-6-14(12(9-13)10-16)17-8-7-11-3-1-2-4-11/h3,5-6,9,17H,1-2,4,7-8H2.
What are the key properties of 5-bromo-2-[2-(cyclopenten-1-yl)ethylamino]benzonitrile?
5-bromo-2-[2-(cyclopenten-1-yl)ethylamino]benzonitrile has a molecular weight of 291.19 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[2-(cyclopenten-1-yl)ethylamino]benzonitrile is sourced from PubChem (CID 106173601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).