1-(4-bromophenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide

C14H15BrN2O2 — CID 3116857

IUPAC1-(4-bromophenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
SMILESC=CCNC(=O)C1CC(=O)N(c2ccc(Br)cc2)C1
InChIInChI=1S/C14H15BrN2O2/c1-2-7-16-14(19)10-8-13(18)17(9-10)12-5-3-11(15)4-6-12/h2-6,10H,1,7-9H2,(H,16,19)
InChIKeyQUOPBQBZDVONDD-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.10
Rot. Bonds4

About 1-(4-bromophenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide

1-(4-bromophenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide (PubChem CID 3116857) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 1-(4-bromophenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
PubChem CID3116857
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name1-(4-bromophenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
SMILESC=CCNC(=O)C1CC(=O)N(c2ccc(Br)cc2)C1
InChIInChI=1S/C14H15BrN2O2/c1-2-7-16-14(19)10-8-13(18)17(9-10)12-5-3-11(15)4-6-12/h2-6,10H,1,7-9H2,(H,16,19)
InChIKeyQUOPBQBZDVONDD-UHFFFAOYSA-N
XLogP2.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide (CID 3116857) is 1-(4-bromophenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide is C=CCNC(=O)C1CC(=O)N(c2ccc(Br)cc2)C1.
What is the InChIKey of 1-(4-bromophenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide?
The InChIKey is QUOPBQBZDVONDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-2-7-16-14(19)10-8-13(18)17(9-10)12-5-3-11(15)4-6-12/h2-6,10H,1,7-9H2,(H,16,19).
What are the key properties of 1-(4-bromophenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide?
1-(4-bromophenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide has a molecular weight of 323.19 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide is sourced from PubChem (CID 3116857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).