5-[(Z)-1-(dimethylamino)-3-(furan-2-yl)-3-oxoprop-1-en-2-yl]-1-methylpyridin-2-one

C15H16N2O3 — CID 59749683

IUPAC5-[(Z)-1-(dimethylamino)-3-(furan-2-yl)-3-oxoprop-1-en-2-yl]-1-methylpyridin-2-one
SMILESCN(C)/C=C(\C(=O)c1ccco1)c1ccc(=O)n(C)c1
InChIInChI=1S/C15H16N2O3/c1-16(2)10-12(15(19)13-5-4-8-20-13)11-6-7-14(18)17(3)9-11/h4-10H,1-3H3/b12-10-
InChIKeyDRQNXAARJAMMLT-BENRWUELSA-N
MW272.30 g/mol
LogP1.76
Rot. Bonds4

About 5-[(Z)-1-(dimethylamino)-3-(furan-2-yl)-3-oxoprop-1-en-2-yl]-1-methylpyridin-2-one

5-[(Z)-1-(dimethylamino)-3-(furan-2-yl)-3-oxoprop-1-en-2-yl]-1-methylpyridin-2-one (PubChem CID 59749683) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 5-[(Z)-1-(dimethylamino)-3-(furan-2-yl)-3-oxoprop-1-en-2-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[(Z)-1-(dimethylamino)-3-(furan-2-yl)-3-oxoprop-1-en-2-yl]-1-methylpyridin-2-one
PubChem CID59749683
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name5-[(Z)-1-(dimethylamino)-3-(furan-2-yl)-3-oxoprop-1-en-2-yl]-1-methylpyridin-2-one
SMILESCN(C)/C=C(\C(=O)c1ccco1)c1ccc(=O)n(C)c1
InChIInChI=1S/C15H16N2O3/c1-16(2)10-12(15(19)13-5-4-8-20-13)11-6-7-14(18)17(3)9-11/h4-10H,1-3H3/b12-10-
InChIKeyDRQNXAARJAMMLT-BENRWUELSA-N
XLogP1.76
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 5-[(Z)-1-(dimethylamino)-3-(furan-2-yl)-3-oxoprop-1-en-2-yl]-1-methylpyridin-2-one?
The IUPAC name of 5-[(Z)-1-(dimethylamino)-3-(furan-2-yl)-3-oxoprop-1-en-2-yl]-1-methylpyridin-2-one (CID 59749683) is 5-[(Z)-1-(dimethylamino)-3-(furan-2-yl)-3-oxoprop-1-en-2-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[(Z)-1-(dimethylamino)-3-(furan-2-yl)-3-oxoprop-1-en-2-yl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[(Z)-1-(dimethylamino)-3-(furan-2-yl)-3-oxoprop-1-en-2-yl]-1-methylpyridin-2-one is CN(C)/C=C(\C(=O)c1ccco1)c1ccc(=O)n(C)c1.
What is the InChIKey of 5-[(Z)-1-(dimethylamino)-3-(furan-2-yl)-3-oxoprop-1-en-2-yl]-1-methylpyridin-2-one?
The InChIKey is DRQNXAARJAMMLT-BENRWUELSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-16(2)10-12(15(19)13-5-4-8-20-13)11-6-7-14(18)17(3)9-11/h4-10H,1-3H3/b12-10-.
What are the key properties of 5-[(Z)-1-(dimethylamino)-3-(furan-2-yl)-3-oxoprop-1-en-2-yl]-1-methylpyridin-2-one?
5-[(Z)-1-(dimethylamino)-3-(furan-2-yl)-3-oxoprop-1-en-2-yl]-1-methylpyridin-2-one has a molecular weight of 272.30 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-1-(dimethylamino)-3-(furan-2-yl)-3-oxoprop-1-en-2-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 59749683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).