3-bromo-2-oxopyrrolidine-1-carboxamide

C5H7BrN2O2 — CID 15230361

IUPAC3-bromo-2-oxopyrrolidine-1-carboxamide
SMILESNC(=O)N1CCC(Br)C1=O
InChIInChI=1S/C5H7BrN2O2/c6-3-1-2-8(4(3)9)5(7)10/h3H,1-2H2,(H2,7,10)
InChIKeyVUPYBSUWEFUNQP-UHFFFAOYSA-N
MW207.03 g/mol
LogP0.06
Rot. Bonds

About 3-bromo-2-oxopyrrolidine-1-carboxamide

3-bromo-2-oxopyrrolidine-1-carboxamide (PubChem CID 15230361) has the molecular formula C5H7BrN2O2 and a molecular weight of 207.03 g/mol. Its IUPAC name is 3-bromo-2-oxopyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-bromo-2-oxopyrrolidine-1-carboxamide
PubChem CID15230361
Molecular FormulaC5H7BrN2O2
Molecular Weight207.03 g/mol
Exact Mass205.97
IUPAC Name3-bromo-2-oxopyrrolidine-1-carboxamide
SMILESNC(=O)N1CCC(Br)C1=O
InChIInChI=1S/C5H7BrN2O2/c6-3-1-2-8(4(3)9)5(7)10/h3H,1-2H2,(H2,7,10)
InChIKeyVUPYBSUWEFUNQP-UHFFFAOYSA-N
XLogP0.06
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.03
LogP ≤ 50.06
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

CID 19022166
CID 19022166
CID 89392044
CID 89392044
CID 141543536
CID 141543536
CID 83115540
CID 83115540

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-oxopyrrolidine-1-carboxamide?
The IUPAC name of 3-bromo-2-oxopyrrolidine-1-carboxamide (CID 15230361) is 3-bromo-2-oxopyrrolidine-1-carboxamide.
What is the SMILES notation for 3-bromo-2-oxopyrrolidine-1-carboxamide?
The canonical SMILES for 3-bromo-2-oxopyrrolidine-1-carboxamide is NC(=O)N1CCC(Br)C1=O.
What is the InChIKey of 3-bromo-2-oxopyrrolidine-1-carboxamide?
The InChIKey is VUPYBSUWEFUNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN2O2/c6-3-1-2-8(4(3)9)5(7)10/h3H,1-2H2,(H2,7,10).
What are the key properties of 3-bromo-2-oxopyrrolidine-1-carboxamide?
3-bromo-2-oxopyrrolidine-1-carboxamide has a molecular weight of 207.03 g/mol, XLogP of 0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-oxopyrrolidine-1-carboxamide is sourced from PubChem (CID 15230361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).