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

C14H13NO3 — CID 2224093

IUPACN-methyl-2-oxo-8-prop-2-enylchromene-3-carboxamide
SMILESC=CCc1cccc2cc(C(=O)NC)c(=O)oc12
InChIInChI=1S/C14H13NO3/c1-3-5-9-6-4-7-10-8-11(13(16)15-2)14(17)18-12(9)10/h3-4,6-8H,1,5H2,2H3,(H,15,16)
InChIKeySHKOWFIARHGPRR-UHFFFAOYSA-N
MW243.26 g/mol
LogP1.88
Rot. Bonds3

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

N-methyl-2-oxo-8-prop-2-enylchromene-3-carboxamide (PubChem CID 2224093) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is N-methyl-2-oxo-8-prop-2-enylchromene-3-carboxamide.

Molecular Properties

Compound NameN-methyl-2-oxo-8-prop-2-enylchromene-3-carboxamide
PubChem CID2224093
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC NameN-methyl-2-oxo-8-prop-2-enylchromene-3-carboxamide
SMILESC=CCc1cccc2cc(C(=O)NC)c(=O)oc12
InChIInChI=1S/C14H13NO3/c1-3-5-9-6-4-7-10-8-11(13(16)15-2)14(17)18-12(9)10/h3-4,6-8H,1,5H2,2H3,(H,15,16)
InChIKeySHKOWFIARHGPRR-UHFFFAOYSA-N
XLogP1.88
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-8-prop-2-enylchromene-3-carboxamide?
The IUPAC name of N-methyl-2-oxo-8-prop-2-enylchromene-3-carboxamide (CID 2224093) is N-methyl-2-oxo-8-prop-2-enylchromene-3-carboxamide.
What is the SMILES notation for N-methyl-2-oxo-8-prop-2-enylchromene-3-carboxamide?
The canonical SMILES for N-methyl-2-oxo-8-prop-2-enylchromene-3-carboxamide is C=CCc1cccc2cc(C(=O)NC)c(=O)oc12.
What is the InChIKey of N-methyl-2-oxo-8-prop-2-enylchromene-3-carboxamide?
The InChIKey is SHKOWFIARHGPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-3-5-9-6-4-7-10-8-11(13(16)15-2)14(17)18-12(9)10/h3-4,6-8H,1,5H2,2H3,(H,15,16).
What are the key properties of N-methyl-2-oxo-8-prop-2-enylchromene-3-carboxamide?
N-methyl-2-oxo-8-prop-2-enylchromene-3-carboxamide has a molecular weight of 243.26 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-8-prop-2-enylchromene-3-carboxamide is sourced from PubChem (CID 2224093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).