3-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-one

C12H14BrNO2 — CID 104679407

IUPAC3-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-one
SMILESCOc1ccc(Br)c(CC2CCNC2=O)c1
InChIInChI=1S/C12H14BrNO2/c1-16-10-2-3-11(13)9(7-10)6-8-4-5-14-12(8)15/h2-3,7-8H,4-6H2,1H3,(H,14,15)
InChIKeyDUJVTJQVPOBRMB-UHFFFAOYSA-N
MW284.15 g/mol
LogP2.14
Rot. Bonds3

About 3-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-one

3-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-one (PubChem CID 104679407) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is 3-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-one
PubChem CID104679407
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC Name3-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-one
SMILESCOc1ccc(Br)c(CC2CCNC2=O)c1
InChIInChI=1S/C12H14BrNO2/c1-16-10-2-3-11(13)9(7-10)6-8-4-5-14-12(8)15/h2-3,7-8H,4-6H2,1H3,(H,14,15)
InChIKeyDUJVTJQVPOBRMB-UHFFFAOYSA-N
XLogP2.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(2S,6S)-2,6-bis[(2-bromo-5-methoxyphenyl)methyl]cyclohexan-1-one
CID 95387471
2-[(2-bromo-5-methoxyphenyl)methyl]-4-ethylcyclohexan-1-one
CID 65323404
4-[(2-bromo-5-methoxyphenyl)methyl-methylamino]cyclohexan-1-one
CID 79120425
(3R)-3-[(2-bromo-5-methoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one
CID 26367542
3-[(2-bromo-5-methoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one
CID 43912366
N-[(2-bromo-5-methoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79705582
3-[(2-methoxyphenyl)methyl]piperidin-2-one
CID 104679153
3-[(2-bromo-5-methoxyphenyl)methyl]cyclohexan-1-amine
CID 65326004
N-[(2-bromo-5-methoxyphenyl)methyl]-N-methylpiperidin-3-amine
CID 65327435
1-[(2-bromo-5-methoxyphenyl)methyl]-6-ethylpiperazine-2,5-dione
CID 65331442
N-[(2-bromo-5-methoxyphenyl)methyl]cyclopropanamine
CID 43163816
N-[(2-bromo-5-methoxyphenyl)methyl]-N-methylazetidin-3-amine;hydrochloride
CID 120851632

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 3-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-one (CID 104679407) is 3-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 3-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 3-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-one is COc1ccc(Br)c(CC2CCNC2=O)c1.
What is the InChIKey of 3-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-one?
The InChIKey is DUJVTJQVPOBRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2/c1-16-10-2-3-11(13)9(7-10)6-8-4-5-14-12(8)15/h2-3,7-8H,4-6H2,1H3,(H,14,15).
What are the key properties of 3-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-one?
3-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-one has a molecular weight of 284.15 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 104679407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).