1-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-2H-pyridine-3,6-dione

C14H10ClNO3 — CID 3007393

IUPAC1-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-2H-pyridine-3,6-dione
SMILESC=C(C(=O)c1ccc(Cl)cc1)N1CC(=O)C=CC1=O
InChIInChI=1S/C14H10ClNO3/c1-9(16-8-12(17)6-7-13(16)18)14(19)10-2-4-11(15)5-3-10/h2-7H,1,8H2
InChIKeyNGUGNQUIXGZKPR-UHFFFAOYSA-N
MW275.69 g/mol
LogP2.00
Rot. Bonds3

About 1-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-2H-pyridine-3,6-dione

1-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-2H-pyridine-3,6-dione (PubChem CID 3007393) has the molecular formula C14H10ClNO3 and a molecular weight of 275.69 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-2H-pyridine-3,6-dione.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-2H-pyridine-3,6-dione
PubChem CID3007393
Molecular FormulaC14H10ClNO3
Molecular Weight275.69 g/mol
Exact Mass275.03
IUPAC Name1-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-2H-pyridine-3,6-dione
SMILESC=C(C(=O)c1ccc(Cl)cc1)N1CC(=O)C=CC1=O
InChIInChI=1S/C14H10ClNO3/c1-9(16-8-12(17)6-7-13(16)18)14(19)10-2-4-11(15)5-3-10/h2-7H,1,8H2
InChIKeyNGUGNQUIXGZKPR-UHFFFAOYSA-N
XLogP2.00
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.69
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-2H-pyridine-3,6-dione?
The IUPAC name of 1-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-2H-pyridine-3,6-dione (CID 3007393) is 1-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-2H-pyridine-3,6-dione.
What is the SMILES notation for 1-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-2H-pyridine-3,6-dione?
The canonical SMILES for 1-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-2H-pyridine-3,6-dione is C=C(C(=O)c1ccc(Cl)cc1)N1CC(=O)C=CC1=O.
What is the InChIKey of 1-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-2H-pyridine-3,6-dione?
The InChIKey is NGUGNQUIXGZKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO3/c1-9(16-8-12(17)6-7-13(16)18)14(19)10-2-4-11(15)5-3-10/h2-7H,1,8H2.
What are the key properties of 1-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-2H-pyridine-3,6-dione?
1-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-2H-pyridine-3,6-dione has a molecular weight of 275.69 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-2H-pyridine-3,6-dione is sourced from PubChem (CID 3007393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).