1-(2-amino-4,5-dibromophenyl)-4-(hydroxymethyl)pyrrolidin-2-one

C11H12Br2N2O2 — CID 168663363

IUPAC1-(2-amino-4,5-dibromophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
SMILESNc1cc(Br)c(Br)cc1N1CC(CO)CC1=O
InChIInChI=1S/C11H12Br2N2O2/c12-7-2-9(14)10(3-8(7)13)15-4-6(5-16)1-11(15)17/h2-3,6,16H,1,4-5,14H2
InChIKeyLREGTLQHRQTVDO-UHFFFAOYSA-N
MW364.04 g/mol
LogP2.14
Rot. Bonds2

About 1-(2-amino-4,5-dibromophenyl)-4-(hydroxymethyl)pyrrolidin-2-one

1-(2-amino-4,5-dibromophenyl)-4-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 168663363) has the molecular formula C11H12Br2N2O2 and a molecular weight of 364.04 g/mol. Its IUPAC name is 1-(2-amino-4,5-dibromophenyl)-4-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-amino-4,5-dibromophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
PubChem CID168663363
Molecular FormulaC11H12Br2N2O2
Molecular Weight364.04 g/mol
Exact Mass361.93
IUPAC Name1-(2-amino-4,5-dibromophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
SMILESNc1cc(Br)c(Br)cc1N1CC(CO)CC1=O
InChIInChI=1S/C11H12Br2N2O2/c12-7-2-9(14)10(3-8(7)13)15-4-6(5-16)1-11(15)17/h2-3,6,16H,1,4-5,14H2
InChIKeyLREGTLQHRQTVDO-UHFFFAOYSA-N
XLogP2.14
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.04
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-amino-5-bromo-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168664180
1-(2-amino-5-bromo-4-fluorophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671324
1-(2-amino-5-bromo-3-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663950
1-(2-bromo-4-tert-butylphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168661949
1-(5-bromonaphthalen-1-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663904
[1-(2-amino-4-bromo-5-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682321
1-(5-bromo-3-fluoro-2-hydroxyphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663944
5-bromo-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]benzoic acid
CID 168663637
1-(5-bromo-2-methoxy-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662455
1-(4-bromo-3-chloro-2-methylphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662547
1-(2-amino-5-bromophenyl)-4-(bromomethyl)pyrrolidin-2-one
CID 168505649
1-(3-amino-2,6-dichloro-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663479

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4,5-dibromophenyl)-4-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of 1-(2-amino-4,5-dibromophenyl)-4-(hydroxymethyl)pyrrolidin-2-one (CID 168663363) is 1-(2-amino-4,5-dibromophenyl)-4-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-amino-4,5-dibromophenyl)-4-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-amino-4,5-dibromophenyl)-4-(hydroxymethyl)pyrrolidin-2-one is Nc1cc(Br)c(Br)cc1N1CC(CO)CC1=O.
What is the InChIKey of 1-(2-amino-4,5-dibromophenyl)-4-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is LREGTLQHRQTVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2N2O2/c12-7-2-9(14)10(3-8(7)13)15-4-6(5-16)1-11(15)17/h2-3,6,16H,1,4-5,14H2.
What are the key properties of 1-(2-amino-4,5-dibromophenyl)-4-(hydroxymethyl)pyrrolidin-2-one?
1-(2-amino-4,5-dibromophenyl)-4-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 364.04 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4,5-dibromophenyl)-4-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 168663363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).