4-amino-1-(2-bromo-5-hydroxyphenyl)pyrrolidin-2-one

C10H11BrN2O2 — CID 168700541

IUPAC4-amino-1-(2-bromo-5-hydroxyphenyl)pyrrolidin-2-one
SMILESNC1CC(=O)N(c2cc(O)ccc2Br)C1
InChIInChI=1S/C10H11BrN2O2/c11-8-2-1-7(14)4-9(8)13-5-6(12)3-10(13)15/h1-2,4,6,14H,3,5,12H2
InChIKeyBBDVSLSCJMJUEO-UHFFFAOYSA-N
MW271.11 g/mol
LogP1.22
Rot. Bonds1

About 4-amino-1-(2-bromo-5-hydroxyphenyl)pyrrolidin-2-one

4-amino-1-(2-bromo-5-hydroxyphenyl)pyrrolidin-2-one (PubChem CID 168700541) has the molecular formula C10H11BrN2O2 and a molecular weight of 271.11 g/mol. Its IUPAC name is 4-amino-1-(2-bromo-5-hydroxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-(2-bromo-5-hydroxyphenyl)pyrrolidin-2-one
PubChem CID168700541
Molecular FormulaC10H11BrN2O2
Molecular Weight271.11 g/mol
Exact Mass270.00
IUPAC Name4-amino-1-(2-bromo-5-hydroxyphenyl)pyrrolidin-2-one
SMILESNC1CC(=O)N(c2cc(O)ccc2Br)C1
InChIInChI=1S/C10H11BrN2O2/c11-8-2-1-7(14)4-9(8)13-5-6(12)3-10(13)15/h1-2,4,6,14H,3,5,12H2
InChIKeyBBDVSLSCJMJUEO-UHFFFAOYSA-N
XLogP1.22
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(4-bromonaphthalen-1-yl)pyrrolidin-2-one
CID 113384546
4-amino-1-(4-bromo-2,5-dichlorophenyl)pyrrolidin-2-one
CID 168700400
(4S)-4-amino-1-(4-bromo-3-methylphenyl)pyrrolidin-2-one
CID 93094958
4-amino-1-(2,4,6-tribromophenyl)pyrrolidin-2-one
CID 43521111
4-amino-1-(2-bromo-4-methylsulfonylphenyl)pyrrolidin-2-one
CID 168699646
4-(aminomethyl)-1-[2-bromo-5-(hydroxymethyl)phenyl]pyrrolidin-2-one
CID 168660569
4-amino-1-(3,5-dibromophenyl)pyrrolidin-2-one
CID 168700989
3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-4-bromobenzoic acid
CID 168660591
4-amino-1-(2-bromo-3-fluorophenyl)pyrrolidin-2-one
CID 168701150
4-amino-1-(3-bromophenyl)pyrrolidin-2-one
CID 43521015
4-amino-1-(2-amino-3,5-dichlorophenyl)pyrrolidin-2-one
CID 168701038
4-amino-1-(2-bromo-6-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168699843

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-bromo-5-hydroxyphenyl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-(2-bromo-5-hydroxyphenyl)pyrrolidin-2-one (CID 168700541) is 4-amino-1-(2-bromo-5-hydroxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-(2-bromo-5-hydroxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-(2-bromo-5-hydroxyphenyl)pyrrolidin-2-one is NC1CC(=O)N(c2cc(O)ccc2Br)C1.
What is the InChIKey of 4-amino-1-(2-bromo-5-hydroxyphenyl)pyrrolidin-2-one?
The InChIKey is BBDVSLSCJMJUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2/c11-8-2-1-7(14)4-9(8)13-5-6(12)3-10(13)15/h1-2,4,6,14H,3,5,12H2.
What are the key properties of 4-amino-1-(2-bromo-5-hydroxyphenyl)pyrrolidin-2-one?
4-amino-1-(2-bromo-5-hydroxyphenyl)pyrrolidin-2-one has a molecular weight of 271.11 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-bromo-5-hydroxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 168700541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).