1-(4-bromophenyl)-3-methoxypyrrolidin-2-one

C11H12BrNO2 — CID 138567201

IUPAC1-(4-bromophenyl)-3-methoxypyrrolidin-2-one
SMILESCOC1CCN(c2ccc(Br)cc2)C1=O
InChIInChI=1S/C11H12BrNO2/c1-15-10-6-7-13(11(10)14)9-4-2-8(12)3-5-9/h2-5,10H,6-7H2,1H3
InChIKeyGMWYKMDCMYBJJB-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.20
Rot. Bonds2

About 1-(4-bromophenyl)-3-methoxypyrrolidin-2-one

1-(4-bromophenyl)-3-methoxypyrrolidin-2-one (PubChem CID 138567201) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-methoxypyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-methoxypyrrolidin-2-one
PubChem CID138567201
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name1-(4-bromophenyl)-3-methoxypyrrolidin-2-one
SMILESCOC1CCN(c2ccc(Br)cc2)C1=O
InChIInChI=1S/C11H12BrNO2/c1-15-10-6-7-13(11(10)14)9-4-2-8(12)3-5-9/h2-5,10H,6-7H2,1H3
InChIKeyGMWYKMDCMYBJJB-UHFFFAOYSA-N
XLogP2.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-(4-bromophenyl)-3-hydroxypyrrolidin-2-one
CID 122515775
(3R)-1-(4-bromophenyl)-3-hydroxypyrrolidin-2-one;(3S)-1-(4-bromophenyl)-3-hydroxypyrrolidin-2-one;[1-(4-bromophenyl)-2-oxopyrrolidin-3-yl] acetate
CID 162100444
4-(3-methoxy-2-oxopyrrolidin-1-yl)-N,N-dimethylbenzenesulfonamide
CID 90455170
1-(4-bromophenyl)-3-[3-(trifluoromethoxy)phenoxy]pyrrolidin-2-one
CID 139544152
3-amino-1-(4-bromophenyl)piperidin-2-one
CID 22313458
1-(4-bromophenyl)-3-hydroxyazetidin-2-one
CID 141314029
1-(4-bromophenyl)-3-cyclopropyl-1,4-diazepane-2,5-dione
CID 64962398
1-(4-bromophenyl)-3-(3-methoxyanilino)pyrrolidin-2-one
CID 122515859
1-(4-bromophenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide
CID 42853703
1-(4-bromophenyl)-3-(2-cyclopropylphenyl)pyrrolidin-2-one
CID 118368449
tert-butyl N-[(3R)-1-(4-bromophenyl)-2-oxopiperidin-3-yl]carbamate
CID 129226585
N-[4-(3-bromo-2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 63787703

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-methoxypyrrolidin-2-one?
The IUPAC name of 1-(4-bromophenyl)-3-methoxypyrrolidin-2-one (CID 138567201) is 1-(4-bromophenyl)-3-methoxypyrrolidin-2-one.
What is the SMILES notation for 1-(4-bromophenyl)-3-methoxypyrrolidin-2-one?
The canonical SMILES for 1-(4-bromophenyl)-3-methoxypyrrolidin-2-one is COC1CCN(c2ccc(Br)cc2)C1=O.
What is the InChIKey of 1-(4-bromophenyl)-3-methoxypyrrolidin-2-one?
The InChIKey is GMWYKMDCMYBJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c1-15-10-6-7-13(11(10)14)9-4-2-8(12)3-5-9/h2-5,10H,6-7H2,1H3.
What are the key properties of 1-(4-bromophenyl)-3-methoxypyrrolidin-2-one?
1-(4-bromophenyl)-3-methoxypyrrolidin-2-one has a molecular weight of 270.13 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-methoxypyrrolidin-2-one is sourced from PubChem (CID 138567201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).