4-(3-bromo-2-oxopyrrolidin-1-yl)butanamide

C8H13BrN2O2 — CID 63788581

IUPAC4-(3-bromo-2-oxopyrrolidin-1-yl)butanamide
SMILESNC(=O)CCCN1CCC(Br)C1=O
InChIInChI=1S/C8H13BrN2O2/c9-6-3-5-11(8(6)13)4-1-2-7(10)12/h6H,1-5H2,(H2,10,12)
InChIKeySKAKLROABMXZFV-UHFFFAOYSA-N
MW249.11 g/mol
LogP0.25
Rot. Bonds4

About 4-(3-bromo-2-oxopyrrolidin-1-yl)butanamide

4-(3-bromo-2-oxopyrrolidin-1-yl)butanamide (PubChem CID 63788581) has the molecular formula C8H13BrN2O2 and a molecular weight of 249.11 g/mol. Its IUPAC name is 4-(3-bromo-2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound Name4-(3-bromo-2-oxopyrrolidin-1-yl)butanamide
PubChem CID63788581
Molecular FormulaC8H13BrN2O2
Molecular Weight249.11 g/mol
Exact Mass248.02
IUPAC Name4-(3-bromo-2-oxopyrrolidin-1-yl)butanamide
SMILESNC(=O)CCCN1CCC(Br)C1=O
InChIInChI=1S/C8H13BrN2O2/c9-6-3-5-11(8(6)13)4-1-2-7(10)12/h6H,1-5H2,(H2,10,12)
InChIKeySKAKLROABMXZFV-UHFFFAOYSA-N
XLogP0.25
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.11
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Oxo-1-pyrrolidinebutyramide
CID 294855
3-Bromopyrrolidin-2-one
CID 10103471
3-Bromo-1-methylpyrrolidin-2-one
CID 11182954
3-Bromo-1-ethylpyrrolidin-2-one
CID 13900227
3-Bromo-1-butylpyrrolidin-2-one
CID 10822770
1-(4-Bromobutyl)pyrrolidin-2-one
CID 15287841
1-Acetyl-3-bromopyrrolidin-2-one
CID 22247802
2-(4-Bromo-2-oxopyrrolidin-1-yl)butanamide
CID 68090659
(3R)-3-bromopyrrolidin-2-one
CID 86327804
(3S)-3-bromopyrrolidin-2-one
CID 86327805
2-bromo-N',N'-diethylbutanediamide
CID 88774369
2-bromo-N,N-diethylbutanediamide
CID 88774371

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of 4-(3-bromo-2-oxopyrrolidin-1-yl)butanamide (CID 63788581) is 4-(3-bromo-2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for 4-(3-bromo-2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for 4-(3-bromo-2-oxopyrrolidin-1-yl)butanamide is NC(=O)CCCN1CCC(Br)C1=O.
What is the InChIKey of 4-(3-bromo-2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is SKAKLROABMXZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN2O2/c9-6-3-5-11(8(6)13)4-1-2-7(10)12/h6H,1-5H2,(H2,10,12).
What are the key properties of 4-(3-bromo-2-oxopyrrolidin-1-yl)butanamide?
4-(3-bromo-2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 249.11 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 63788581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).