1-(4-bromo-2,5-dimethoxyphenyl)pyrrolidin-2-one

C12H14BrNO3 — CID 15154182

IUPAC1-(4-bromo-2,5-dimethoxyphenyl)pyrrolidin-2-one
SMILESCOc1cc(N2CCCC2=O)c(OC)cc1Br
InChIInChI=1S/C12H14BrNO3/c1-16-10-7-9(11(17-2)6-8(10)13)14-5-3-4-12(14)15/h6-7H,3-5H2,1-2H3
InChIKeyNNUSEXNAMQQBAW-UHFFFAOYSA-N
MW300.15 g/mol
LogP2.59
Rot. Bonds3

About 1-(4-bromo-2,5-dimethoxyphenyl)pyrrolidin-2-one

1-(4-bromo-2,5-dimethoxyphenyl)pyrrolidin-2-one (PubChem CID 15154182) has the molecular formula C12H14BrNO3 and a molecular weight of 300.15 g/mol. Its IUPAC name is 1-(4-bromo-2,5-dimethoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-bromo-2,5-dimethoxyphenyl)pyrrolidin-2-one
PubChem CID15154182
Molecular FormulaC12H14BrNO3
Molecular Weight300.15 g/mol
Exact Mass299.02
IUPAC Name1-(4-bromo-2,5-dimethoxyphenyl)pyrrolidin-2-one
SMILESCOc1cc(N2CCCC2=O)c(OC)cc1Br
InChIInChI=1S/C12H14BrNO3/c1-16-10-7-9(11(17-2)6-8(10)13)14-5-3-4-12(14)15/h6-7H,3-5H2,1-2H3
InChIKeyNNUSEXNAMQQBAW-UHFFFAOYSA-N
XLogP2.59
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(aminomethyl)-2-methoxyphenyl]pyrrolidin-2-one
CID 104848461
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]formamide
CID 64992271
3-methoxy-4-(2-oxopyrrolidin-1-yl)benzenecarbothioamide
CID 104849536
4-methoxy-N,N-dimethyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 38015477
1-(2,4-dibromo-5-methoxyphenyl)piperidin-4-one
CID 103414426
1-(5-amino-2-bromo-4-methylphenyl)pyrrolidin-2-one
CID 104815334
1-[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-2-one
CID 166609170
5-bromo-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]furan-2-carboxamide
CID 7686704
methyl 3-methoxy-4-(2-oxopiperidin-1-yl)benzoate
CID 53419638
2-[4,5-dimethoxy-2-(2-oxopiperidin-1-yl)phenyl]acetonitrile
CID 13439532
1-(4-methoxy-2-methylphenyl)pyrrolidin-2-one
CID 25155815
N'-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-methoxyphenyl)oxamide
CID 30679370

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,5-dimethoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 1-(4-bromo-2,5-dimethoxyphenyl)pyrrolidin-2-one (CID 15154182) is 1-(4-bromo-2,5-dimethoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-bromo-2,5-dimethoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-bromo-2,5-dimethoxyphenyl)pyrrolidin-2-one is COc1cc(N2CCCC2=O)c(OC)cc1Br.
What is the InChIKey of 1-(4-bromo-2,5-dimethoxyphenyl)pyrrolidin-2-one?
The InChIKey is NNUSEXNAMQQBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO3/c1-16-10-7-9(11(17-2)6-8(10)13)14-5-3-4-12(14)15/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-(4-bromo-2,5-dimethoxyphenyl)pyrrolidin-2-one?
1-(4-bromo-2,5-dimethoxyphenyl)pyrrolidin-2-one has a molecular weight of 300.15 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,5-dimethoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 15154182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).