4-(aminomethyl)-1-(3-bromo-5-methylphenyl)pyrrolidin-2-one

C12H15BrN2O — CID 107579655

IUPAC4-(aminomethyl)-1-(3-bromo-5-methylphenyl)pyrrolidin-2-one
SMILESCc1cc(Br)cc(N2CC(CN)CC2=O)c1
InChIInChI=1S/C12H15BrN2O/c1-8-2-10(13)5-11(3-8)15-7-9(6-14)4-12(15)16/h2-3,5,9H,4,6-7,14H2,1H3
InChIKeyQUHYMVQTWGCXGC-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.07
Rot. Bonds2

About 4-(aminomethyl)-1-(3-bromo-5-methylphenyl)pyrrolidin-2-one

4-(aminomethyl)-1-(3-bromo-5-methylphenyl)pyrrolidin-2-one (PubChem CID 107579655) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(3-bromo-5-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-(3-bromo-5-methylphenyl)pyrrolidin-2-one
PubChem CID107579655
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name4-(aminomethyl)-1-(3-bromo-5-methylphenyl)pyrrolidin-2-one
SMILESCc1cc(Br)cc(N2CC(CN)CC2=O)c1
InChIInChI=1S/C12H15BrN2O/c1-8-2-10(13)5-11(3-8)15-7-9(6-14)4-12(15)16/h2-3,5,9H,4,6-7,14H2,1H3
InChIKeyQUHYMVQTWGCXGC-UHFFFAOYSA-N
XLogP2.07
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-methylphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 107579664
4-(aminomethyl)-1-(3-bromo-5-methoxyphenyl)pyrrolidin-2-one
CID 82860333
4-(aminomethyl)-1-(3,5-difluoro-4-methylphenyl)pyrrolidin-2-one
CID 168659727
4-(aminomethyl)-1-[3,5-bis(hydroxymethyl)phenyl]pyrrolidin-2-one
CID 168661123
4-amino-1-(3,5-dibromophenyl)pyrrolidin-2-one
CID 168700989
4-(aminomethyl)-1-(5-bromo-2-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168659739
4-(aminomethyl)-1-(2-methyl-4-pyridinyl)pyrrolidin-2-one
CID 168660066
1-(2-amino-4-bromo-6-fluorophenyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168661085
4-(aminomethyl)-1-(2-bromo-4-methyl-6-nitrophenyl)pyrrolidin-2-one
CID 168659834
[1-(3-bromo-5-methoxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681236
4-(aminomethyl)-1-(4-bromo-2-fluoro-5-methylphenyl)pyrrolidin-2-one
CID 168659759
4-(bromomethyl)-1-(3-methylphenyl)pyrrolidin-2-one
CID 168504686

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(3-bromo-5-methylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-(3-bromo-5-methylphenyl)pyrrolidin-2-one (CID 107579655) is 4-(aminomethyl)-1-(3-bromo-5-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-(3-bromo-5-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-(3-bromo-5-methylphenyl)pyrrolidin-2-one is Cc1cc(Br)cc(N2CC(CN)CC2=O)c1.
What is the InChIKey of 4-(aminomethyl)-1-(3-bromo-5-methylphenyl)pyrrolidin-2-one?
The InChIKey is QUHYMVQTWGCXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-8-2-10(13)5-11(3-8)15-7-9(6-14)4-12(15)16/h2-3,5,9H,4,6-7,14H2,1H3.
What are the key properties of 4-(aminomethyl)-1-(3-bromo-5-methylphenyl)pyrrolidin-2-one?
4-(aminomethyl)-1-(3-bromo-5-methylphenyl)pyrrolidin-2-one has a molecular weight of 283.17 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-(3-bromo-5-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 107579655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).