2-[1-(3-bromo-5-methylphenyl)cyclopentyl]acetonitrile

C14H16BrN — CID 129285142

IUPAC2-[1-(3-bromo-5-methylphenyl)cyclopentyl]acetonitrile
SMILESCc1cc(Br)cc(C2(CC#N)CCCC2)c1
InChIInChI=1S/C14H16BrN/c1-11-8-12(10-13(15)9-11)14(6-7-16)4-2-3-5-14/h8-10H,2-6H2,1H3
InChIKeySYBCQJBZGDDNBO-UHFFFAOYSA-N
MW278.19 g/mol
LogP4.48
Rot. Bonds2

About 2-[1-(3-bromo-5-methylphenyl)cyclopentyl]acetonitrile

2-[1-(3-bromo-5-methylphenyl)cyclopentyl]acetonitrile (PubChem CID 129285142) has the molecular formula C14H16BrN and a molecular weight of 278.19 g/mol. Its IUPAC name is 2-[1-(3-bromo-5-methylphenyl)cyclopentyl]acetonitrile.

Molecular Properties

Compound Name2-[1-(3-bromo-5-methylphenyl)cyclopentyl]acetonitrile
PubChem CID129285142
Molecular FormulaC14H16BrN
Molecular Weight278.19 g/mol
Exact Mass277.05
IUPAC Name2-[1-(3-bromo-5-methylphenyl)cyclopentyl]acetonitrile
SMILESCc1cc(Br)cc(C2(CC#N)CCCC2)c1
InChIInChI=1S/C14H16BrN/c1-11-8-12(10-13(15)9-11)14(6-7-16)4-2-3-5-14/h8-10H,2-6H2,1H3
InChIKeySYBCQJBZGDDNBO-UHFFFAOYSA-N
XLogP4.48
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-(4-methylphenyl)cyclopentyl]acetonitrile
CID 90274586
1-(3-bromo-5-methylphenyl)cyclopentan-1-ol
CID 163230979
[1-(3-bromo-5-methylsulfanylphenyl)cyclopentyl]methanamine
CID 117483940
2-[1-[(3,5-dibromophenyl)methyl]cyclopentyl]acetonitrile
CID 130451899
2-[1-[4-(trifluoromethyl)phenyl]cyclopentyl]acetonitrile
CID 86725930
[1-(3-fluoro-5-methylphenyl)cyclopentyl]methanamine
CID 84779814
N-[[1-(3,5-dimethylphenyl)cycloheptyl]methyl]ethanamine
CID 63511415
2-[1-(3,5-dimethylphenyl)cyclopentyl]-N-methylethanimine
CID 129311864
N-[[1-(3,5-dimethylphenyl)cycloheptyl]methyl]-2-methylpropan-2-amine
CID 63511073
3-(3-bromo-5-methylphenyl)propanenitrile
CID 84789585
2-[1-(1,3-benzodioxol-5-yl)cyclobutyl]acetonitrile
CID 54471078
2-[1-(3-ethyl-2-methylphenyl)cyclopentyl]acetonitrile
CID 130430295

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-bromo-5-methylphenyl)cyclopentyl]acetonitrile?
The IUPAC name of 2-[1-(3-bromo-5-methylphenyl)cyclopentyl]acetonitrile (CID 129285142) is 2-[1-(3-bromo-5-methylphenyl)cyclopentyl]acetonitrile.
What is the SMILES notation for 2-[1-(3-bromo-5-methylphenyl)cyclopentyl]acetonitrile?
The canonical SMILES for 2-[1-(3-bromo-5-methylphenyl)cyclopentyl]acetonitrile is Cc1cc(Br)cc(C2(CC#N)CCCC2)c1.
What is the InChIKey of 2-[1-(3-bromo-5-methylphenyl)cyclopentyl]acetonitrile?
The InChIKey is SYBCQJBZGDDNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN/c1-11-8-12(10-13(15)9-11)14(6-7-16)4-2-3-5-14/h8-10H,2-6H2,1H3.
What are the key properties of 2-[1-(3-bromo-5-methylphenyl)cyclopentyl]acetonitrile?
2-[1-(3-bromo-5-methylphenyl)cyclopentyl]acetonitrile has a molecular weight of 278.19 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-bromo-5-methylphenyl)cyclopentyl]acetonitrile is sourced from PubChem (CID 129285142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).