5-[3-(4-bromophenyl)-3-cyclobutyl-1-nitrosopropyl]-1-methylpyridin-2-one

C19H21BrN2O2 — CID 123320145

IUPAC5-[3-(4-bromophenyl)-3-cyclobutyl-1-nitrosopropyl]-1-methylpyridin-2-one
SMILESCn1cc(C(CC(c2ccc(Br)cc2)C2CCC2)N=O)ccc1=O
InChIInChI=1S/C19H21BrN2O2/c1-22-12-15(7-10-19(22)23)18(21-24)11-17(13-3-2-4-13)14-5-8-16(20)9-6-14/h5-10,12-13,17-18H,2-4,11H2,1H3
InChIKeyQOOLHRKHBBQJGP-UHFFFAOYSA-N
MW389.29 g/mol
LogP4.93
Rot. Bonds6

About 5-[3-(4-bromophenyl)-3-cyclobutyl-1-nitrosopropyl]-1-methylpyridin-2-one

5-[3-(4-bromophenyl)-3-cyclobutyl-1-nitrosopropyl]-1-methylpyridin-2-one (PubChem CID 123320145) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is 5-[3-(4-bromophenyl)-3-cyclobutyl-1-nitrosopropyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[3-(4-bromophenyl)-3-cyclobutyl-1-nitrosopropyl]-1-methylpyridin-2-one
PubChem CID123320145
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name5-[3-(4-bromophenyl)-3-cyclobutyl-1-nitrosopropyl]-1-methylpyridin-2-one
SMILESCn1cc(C(CC(c2ccc(Br)cc2)C2CCC2)N=O)ccc1=O
InChIInChI=1S/C19H21BrN2O2/c1-22-12-15(7-10-19(22)23)18(21-24)11-17(13-3-2-4-13)14-5-8-16(20)9-6-14/h5-10,12-13,17-18H,2-4,11H2,1H3
InChIKeyQOOLHRKHBBQJGP-UHFFFAOYSA-N
XLogP4.93
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-bromophenyl)-3-cyclobutyl-1-nitrosopropyl]-1-methylpyridin-2-one?
The IUPAC name of 5-[3-(4-bromophenyl)-3-cyclobutyl-1-nitrosopropyl]-1-methylpyridin-2-one (CID 123320145) is 5-[3-(4-bromophenyl)-3-cyclobutyl-1-nitrosopropyl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[3-(4-bromophenyl)-3-cyclobutyl-1-nitrosopropyl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[3-(4-bromophenyl)-3-cyclobutyl-1-nitrosopropyl]-1-methylpyridin-2-one is Cn1cc(C(CC(c2ccc(Br)cc2)C2CCC2)N=O)ccc1=O.
What is the InChIKey of 5-[3-(4-bromophenyl)-3-cyclobutyl-1-nitrosopropyl]-1-methylpyridin-2-one?
The InChIKey is QOOLHRKHBBQJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-22-12-15(7-10-19(22)23)18(21-24)11-17(13-3-2-4-13)14-5-8-16(20)9-6-14/h5-10,12-13,17-18H,2-4,11H2,1H3.
What are the key properties of 5-[3-(4-bromophenyl)-3-cyclobutyl-1-nitrosopropyl]-1-methylpyridin-2-one?
5-[3-(4-bromophenyl)-3-cyclobutyl-1-nitrosopropyl]-1-methylpyridin-2-one has a molecular weight of 389.29 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-bromophenyl)-3-cyclobutyl-1-nitrosopropyl]-1-methylpyridin-2-one is sourced from PubChem (CID 123320145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).