1-(5-bromo-2-methylphenyl)cyclopropane-1-carbonitrile

C11H10BrN — CID 83716267

IUPAC1-(5-bromo-2-methylphenyl)cyclopropane-1-carbonitrile
SMILESCc1ccc(Br)cc1C1(C#N)CC1
InChIInChI=1S/C11H10BrN/c1-8-2-3-9(12)6-10(8)11(7-13)4-5-11/h2-3,6H,4-5H2,1H3
InChIKeyUXQWDLSSLMNKPA-UHFFFAOYSA-N
MW236.11 g/mol
LogP3.31
Rot. Bonds1

About 1-(5-bromo-2-methylphenyl)cyclopropane-1-carbonitrile

1-(5-bromo-2-methylphenyl)cyclopropane-1-carbonitrile (PubChem CID 83716267) has the molecular formula C11H10BrN and a molecular weight of 236.11 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)cyclopropane-1-carbonitrile
PubChem CID83716267
Molecular FormulaC11H10BrN
Molecular Weight236.11 g/mol
Exact Mass235.00
IUPAC Name1-(5-bromo-2-methylphenyl)cyclopropane-1-carbonitrile
SMILESCc1ccc(Br)cc1C1(C#N)CC1
InChIInChI=1S/C11H10BrN/c1-8-2-3-9(12)6-10(8)11(7-13)4-5-11/h2-3,6H,4-5H2,1H3
InChIKeyUXQWDLSSLMNKPA-UHFFFAOYSA-N
XLogP3.31
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.11
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(5-bromo-2-methylphenyl)cyclopropane-1-carbonitrile (CID 83716267) is 1-(5-bromo-2-methylphenyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)cyclopropane-1-carbonitrile is Cc1ccc(Br)cc1C1(C#N)CC1.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)cyclopropane-1-carbonitrile?
The InChIKey is UXQWDLSSLMNKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN/c1-8-2-3-9(12)6-10(8)11(7-13)4-5-11/h2-3,6H,4-5H2,1H3.
What are the key properties of 1-(5-bromo-2-methylphenyl)cyclopropane-1-carbonitrile?
1-(5-bromo-2-methylphenyl)cyclopropane-1-carbonitrile has a molecular weight of 236.11 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylphenyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 83716267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).