2-oxo-8-prop-2-enyl-N-(1,2,4-triazol-4-yl)chromene-3-carboxamide

C15H12N4O3 — CID 21176516

IUPAC2-oxo-8-prop-2-enyl-N-(1,2,4-triazol-4-yl)chromene-3-carboxamide
SMILESC=CCc1cccc2cc(C(=O)Nn3cnnc3)c(=O)oc12
InChIInChI=1S/C15H12N4O3/c1-2-4-10-5-3-6-11-7-12(15(21)22-13(10)11)14(20)18-19-8-16-17-9-19/h2-3,5-9H,1,4H2,(H,18,20)
InChIKeyIGXVMKHTZUWGCB-UHFFFAOYSA-N
MW296.29 g/mol
LogP1.50
Rot. Bonds4

About 2-oxo-8-prop-2-enyl-N-(1,2,4-triazol-4-yl)chromene-3-carboxamide

2-oxo-8-prop-2-enyl-N-(1,2,4-triazol-4-yl)chromene-3-carboxamide (PubChem CID 21176516) has the molecular formula C15H12N4O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 2-oxo-8-prop-2-enyl-N-(1,2,4-triazol-4-yl)chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-8-prop-2-enyl-N-(1,2,4-triazol-4-yl)chromene-3-carboxamide
PubChem CID21176516
Molecular FormulaC15H12N4O3
Molecular Weight296.29 g/mol
Exact Mass296.09
IUPAC Name2-oxo-8-prop-2-enyl-N-(1,2,4-triazol-4-yl)chromene-3-carboxamide
SMILESC=CCc1cccc2cc(C(=O)Nn3cnnc3)c(=O)oc12
InChIInChI=1S/C15H12N4O3/c1-2-4-10-5-3-6-11-7-12(15(21)22-13(10)11)14(20)18-19-8-16-17-9-19/h2-3,5-9H,1,4H2,(H,18,20)
InChIKeyIGXVMKHTZUWGCB-UHFFFAOYSA-N
XLogP1.50
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2-oxo-8-prop-2-enylchromene-3-carbonyl)-8-prop-2-enylchromen-2-one
CID 56694172
N'-(2-oxo-8-prop-2-enylchromene-3-carbonyl)pyridine-4-carbohydrazide
CID 785049
N-(3,4-dichlorophenyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide
CID 1108271
N-(3-hydroxyphenyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide
CID 804653
N-cyclohexyl-2-oxo-8-prop-2-enylchromene-3-carboxamide
CID 785044
N-(2-bromophenyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide
CID 611701
N-(2,4-dimethylphenyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide
CID 810659
3-(2-methylimidazole-1-carbonyl)-8-prop-2-enylchromen-2-one
CID 21239634
N'-(3,4-dimethoxybenzoyl)-2-oxo-8-prop-2-enylchromene-3-carbohydrazide
CID 1122732
N-(2-oxo-8-prop-2-enylchromen-3-yl)acetamide
CID 763579
N-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide
CID 2254975
N-(4-methyl-2-nitrophenyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide
CID 2888714

Frequently Asked Questions

What is the IUPAC name of 2-oxo-8-prop-2-enyl-N-(1,2,4-triazol-4-yl)chromene-3-carboxamide?
The IUPAC name of 2-oxo-8-prop-2-enyl-N-(1,2,4-triazol-4-yl)chromene-3-carboxamide (CID 21176516) is 2-oxo-8-prop-2-enyl-N-(1,2,4-triazol-4-yl)chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-8-prop-2-enyl-N-(1,2,4-triazol-4-yl)chromene-3-carboxamide?
The canonical SMILES for 2-oxo-8-prop-2-enyl-N-(1,2,4-triazol-4-yl)chromene-3-carboxamide is C=CCc1cccc2cc(C(=O)Nn3cnnc3)c(=O)oc12.
What is the InChIKey of 2-oxo-8-prop-2-enyl-N-(1,2,4-triazol-4-yl)chromene-3-carboxamide?
The InChIKey is IGXVMKHTZUWGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O3/c1-2-4-10-5-3-6-11-7-12(15(21)22-13(10)11)14(20)18-19-8-16-17-9-19/h2-3,5-9H,1,4H2,(H,18,20).
What are the key properties of 2-oxo-8-prop-2-enyl-N-(1,2,4-triazol-4-yl)chromene-3-carboxamide?
2-oxo-8-prop-2-enyl-N-(1,2,4-triazol-4-yl)chromene-3-carboxamide has a molecular weight of 296.29 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-8-prop-2-enyl-N-(1,2,4-triazol-4-yl)chromene-3-carboxamide is sourced from PubChem (CID 21176516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).