4-amino-1-(4-bromonaphthalen-1-yl)pyrrolidin-2-one

C14H13BrN2O — CID 113384546

IUPAC4-amino-1-(4-bromonaphthalen-1-yl)pyrrolidin-2-one
SMILESNC1CC(=O)N(c2ccc(Br)c3ccccc23)C1
InChIInChI=1S/C14H13BrN2O/c15-12-5-6-13(11-4-2-1-3-10(11)12)17-8-9(16)7-14(17)18/h1-6,9H,7-8,16H2
InChIKeyZWZWVQHOCDIZHB-UHFFFAOYSA-N
MW305.18 g/mol
LogP2.67
Rot. Bonds1

About 4-amino-1-(4-bromonaphthalen-1-yl)pyrrolidin-2-one

4-amino-1-(4-bromonaphthalen-1-yl)pyrrolidin-2-one (PubChem CID 113384546) has the molecular formula C14H13BrN2O and a molecular weight of 305.18 g/mol. Its IUPAC name is 4-amino-1-(4-bromonaphthalen-1-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-(4-bromonaphthalen-1-yl)pyrrolidin-2-one
PubChem CID113384546
Molecular FormulaC14H13BrN2O
Molecular Weight305.18 g/mol
Exact Mass304.02
IUPAC Name4-amino-1-(4-bromonaphthalen-1-yl)pyrrolidin-2-one
SMILESNC1CC(=O)N(c2ccc(Br)c3ccccc23)C1
InChIInChI=1S/C14H13BrN2O/c15-12-5-6-13(11-4-2-1-3-10(11)12)17-8-9(16)7-14(17)18/h1-6,9H,7-8,16H2
InChIKeyZWZWVQHOCDIZHB-UHFFFAOYSA-N
XLogP2.67
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-(4-nitronaphthalen-1-yl)pyrrolidin-2-one
CID 168700491
4-amino-1-(2-bromo-5-hydroxyphenyl)pyrrolidin-2-one
CID 168700541
1-(5-bromonaphthalen-1-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663904
4-amino-1-(2-bromo-6-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168699843
1-(5-bromonaphthalen-1-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712717
4-amino-1-(2-bromo-3-fluorophenyl)pyrrolidin-2-one
CID 168701150
4-amino-1-(2-bromo-4-methylsulfonylphenyl)pyrrolidin-2-one
CID 168699646
1-(5-bromonaphthalen-1-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715845
4-amino-1-(8-methoxyquinolin-5-yl)pyrrolidin-2-one
CID 168699530
4-amino-1-(4-bromo-2,5-dichlorophenyl)pyrrolidin-2-one
CID 168700400
4-amino-1-(2-chloroquinolin-4-yl)pyrrolidin-2-one
CID 168701052
(1S,2R,6S,7R)-4-(4-bromonaphthalen-1-yl)-4-azatricyclo[5.2.1.02,6]dec-8-en-3-one
CID 69152597

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-bromonaphthalen-1-yl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-(4-bromonaphthalen-1-yl)pyrrolidin-2-one (CID 113384546) is 4-amino-1-(4-bromonaphthalen-1-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-(4-bromonaphthalen-1-yl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-(4-bromonaphthalen-1-yl)pyrrolidin-2-one is NC1CC(=O)N(c2ccc(Br)c3ccccc23)C1.
What is the InChIKey of 4-amino-1-(4-bromonaphthalen-1-yl)pyrrolidin-2-one?
The InChIKey is ZWZWVQHOCDIZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O/c15-12-5-6-13(11-4-2-1-3-10(11)12)17-8-9(16)7-14(17)18/h1-6,9H,7-8,16H2.
What are the key properties of 4-amino-1-(4-bromonaphthalen-1-yl)pyrrolidin-2-one?
4-amino-1-(4-bromonaphthalen-1-yl)pyrrolidin-2-one has a molecular weight of 305.18 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-bromonaphthalen-1-yl)pyrrolidin-2-one is sourced from PubChem (CID 113384546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).