(2-bromo-3-methyl-5-nitrosophenyl)-cyclobutylmethanone

C12H12BrNO2 — CID 135175776

IUPAC(2-bromo-3-methyl-5-nitrosophenyl)-cyclobutylmethanone
SMILESCc1cc(N=O)cc(C(=O)C2CCC2)c1Br
InChIInChI=1S/C12H12BrNO2/c1-7-5-9(14-16)6-10(11(7)13)12(15)8-3-2-4-8/h5-6,8H,2-4H2,1H3
InChIKeyHTNMNCVQQOXOLK-UHFFFAOYSA-N
MW282.14 g/mol
LogP4.14
Rot. Bonds3

About (2-bromo-3-methyl-5-nitrosophenyl)-cyclobutylmethanone

(2-bromo-3-methyl-5-nitrosophenyl)-cyclobutylmethanone (PubChem CID 135175776) has the molecular formula C12H12BrNO2 and a molecular weight of 282.14 g/mol. Its IUPAC name is (2-bromo-3-methyl-5-nitrosophenyl)-cyclobutylmethanone.

Molecular Properties

Compound Name(2-bromo-3-methyl-5-nitrosophenyl)-cyclobutylmethanone
PubChem CID135175776
Molecular FormulaC12H12BrNO2
Molecular Weight282.14 g/mol
Exact Mass281.01
IUPAC Name(2-bromo-3-methyl-5-nitrosophenyl)-cyclobutylmethanone
SMILESCc1cc(N=O)cc(C(=O)C2CCC2)c1Br
InChIInChI=1S/C12H12BrNO2/c1-7-5-9(14-16)6-10(11(7)13)12(15)8-3-2-4-8/h5-6,8H,2-4H2,1H3
InChIKeyHTNMNCVQQOXOLK-UHFFFAOYSA-N
XLogP4.14
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-3,5-dimethylphenyl)-cyclobutylmethanone
CID 114329540
cyclobutyl-(2,4,5-trimethylphenyl)methanone
CID 64989834
(4-bromo-3,5-dimethylphenyl)-cyclohexylmethanone
CID 114329532
cyclobutyl-(2,4-dimethylphenyl)methanone
CID 24724130
cyclobutyl-(2,5-dimethylthiophen-3-yl)methanone
CID 43161431
(4-bromo-3-methylphenyl)-cyclobutylmethanone
CID 115811405
cyclobutyl-(2,5-dimethyl-1H-pyrrol-3-yl)methanone
CID 82490597
cyclopentyl-(2,4-dimethylphenyl)methanone
CID 24724166
cyclobutyl-(2-methyl-5-propan-2-ylphenyl)methanone
CID 82493091
cyclobutyl-(3,5-dimethylphenyl)methanone
CID 24724134
(3-bromo-4-methylphenyl)-cyclopentylmethanone
CID 82122935
(2-bromo-3,4-difluorophenyl)-cyclobutylmethanone
CID 107538146

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-methyl-5-nitrosophenyl)-cyclobutylmethanone?
The IUPAC name of (2-bromo-3-methyl-5-nitrosophenyl)-cyclobutylmethanone (CID 135175776) is (2-bromo-3-methyl-5-nitrosophenyl)-cyclobutylmethanone.
What is the SMILES notation for (2-bromo-3-methyl-5-nitrosophenyl)-cyclobutylmethanone?
The canonical SMILES for (2-bromo-3-methyl-5-nitrosophenyl)-cyclobutylmethanone is Cc1cc(N=O)cc(C(=O)C2CCC2)c1Br.
What is the InChIKey of (2-bromo-3-methyl-5-nitrosophenyl)-cyclobutylmethanone?
The InChIKey is HTNMNCVQQOXOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2/c1-7-5-9(14-16)6-10(11(7)13)12(15)8-3-2-4-8/h5-6,8H,2-4H2,1H3.
What are the key properties of (2-bromo-3-methyl-5-nitrosophenyl)-cyclobutylmethanone?
(2-bromo-3-methyl-5-nitrosophenyl)-cyclobutylmethanone has a molecular weight of 282.14 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-methyl-5-nitrosophenyl)-cyclobutylmethanone is sourced from PubChem (CID 135175776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).