8-methoxy-2-oxo-N-prop-2-enylchromene-3-carboxamide

C14H13NO4 — CID 2146230

IUPAC8-methoxy-2-oxo-N-prop-2-enylchromene-3-carboxamide
SMILESC=CCNC(=O)c1cc2cccc(OC)c2oc1=O
InChIInChI=1S/C14H13NO4/c1-3-7-15-13(16)10-8-9-5-4-6-11(18-2)12(9)19-14(10)17/h3-6,8H,1,7H2,2H3,(H,15,16)
InChIKeyZPWVGNSHLONORB-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.72
Rot. Bonds4

About 8-methoxy-2-oxo-N-prop-2-enylchromene-3-carboxamide

8-methoxy-2-oxo-N-prop-2-enylchromene-3-carboxamide (PubChem CID 2146230) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 8-methoxy-2-oxo-N-prop-2-enylchromene-3-carboxamide.

Molecular Properties

Compound Name8-methoxy-2-oxo-N-prop-2-enylchromene-3-carboxamide
PubChem CID2146230
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name8-methoxy-2-oxo-N-prop-2-enylchromene-3-carboxamide
SMILESC=CCNC(=O)c1cc2cccc(OC)c2oc1=O
InChIInChI=1S/C14H13NO4/c1-3-7-15-13(16)10-8-9-5-4-6-11(18-2)12(9)19-14(10)17/h3-6,8H,1,7H2,2H3,(H,15,16)
InChIKeyZPWVGNSHLONORB-UHFFFAOYSA-N
XLogP1.72
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-methoxy-2-oxo-N-prop-2-enylchromene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-oxo-N-(2-phenylethyl)-2H-chromene-3-carboxamide
CID 728535
N-cyclohexyl-2-oxo-2H-chromene-3-carboxamide
CID 724217
4-{(1e)-3-Oxo-3-[(2-Phenylethyl)amino]prop-1-En-1-Yl}-1,2-Phenylene Diacetate
CID 11957394
2H-1-Benzopyran-3-carboxamide, N,N'-1,4-butanediylbis[2-oxo-
CID 3559465
8-methoxy-2-oxo-N-(2-phenylethyl)-2H-chromene-3-carboxamide
CID 712647
N,N'-Ethylenebis(3-coumarincarboxamide)
CID 599283
N-isobutyl-2-oxo-2H-chromene-3-carboxamide
CID 823440
3-Carboxamido coumarin, 5
CID 10657190
N-isopropyl-2-oxo-2H-chromene-3-carboxamide
CID 682187
N-[2-(4-methoxyphenyl)ethyl]-2-oxo-2H-chromene-3-carboxamide
CID 869121
N-cycloheptyl-2-oxo-2H-chromene-3-carboxamide
CID 898402
8-Ethoxy-3-(morpholin-4-ylcarbonyl)chromen-2-one
CID 1247427

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-oxo-N-prop-2-enylchromene-3-carboxamide?
The IUPAC name of 8-methoxy-2-oxo-N-prop-2-enylchromene-3-carboxamide (CID 2146230) is 8-methoxy-2-oxo-N-prop-2-enylchromene-3-carboxamide.
What is the SMILES notation for 8-methoxy-2-oxo-N-prop-2-enylchromene-3-carboxamide?
The canonical SMILES for 8-methoxy-2-oxo-N-prop-2-enylchromene-3-carboxamide is C=CCNC(=O)c1cc2cccc(OC)c2oc1=O.
What is the InChIKey of 8-methoxy-2-oxo-N-prop-2-enylchromene-3-carboxamide?
The InChIKey is ZPWVGNSHLONORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-3-7-15-13(16)10-8-9-5-4-6-11(18-2)12(9)19-14(10)17/h3-6,8H,1,7H2,2H3,(H,15,16).
What are the key properties of 8-methoxy-2-oxo-N-prop-2-enylchromene-3-carboxamide?
8-methoxy-2-oxo-N-prop-2-enylchromene-3-carboxamide has a molecular weight of 259.26 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-oxo-N-prop-2-enylchromene-3-carboxamide is sourced from PubChem (CID 2146230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).