N,N-dimethyl-2-oxo-8-prop-2-enylchromene-3-carboxamide

C15H15NO3 — CID 696828

IUPACN,N-dimethyl-2-oxo-8-prop-2-enylchromene-3-carboxamide
SMILESC=CCc1cccc2cc(C(=O)N(C)C)c(=O)oc12
InChIInChI=1S/C15H15NO3/c1-4-6-10-7-5-8-11-9-12(14(17)16(2)3)15(18)19-13(10)11/h4-5,7-9H,1,6H2,2-3H3
InChIKeyBLINFQFHNUCYMV-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.22
Rot. Bonds3

About N,N-dimethyl-2-oxo-8-prop-2-enylchromene-3-carboxamide

N,N-dimethyl-2-oxo-8-prop-2-enylchromene-3-carboxamide (PubChem CID 696828) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is N,N-dimethyl-2-oxo-8-prop-2-enylchromene-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-oxo-8-prop-2-enylchromene-3-carboxamide
PubChem CID696828
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC NameN,N-dimethyl-2-oxo-8-prop-2-enylchromene-3-carboxamide
SMILESC=CCc1cccc2cc(C(=O)N(C)C)c(=O)oc12
InChIInChI=1S/C15H15NO3/c1-4-6-10-7-5-8-11-9-12(14(17)16(2)3)15(18)19-13(10)11/h4-5,7-9H,1,6H2,2-3H3
InChIKeyBLINFQFHNUCYMV-UHFFFAOYSA-N
XLogP2.22
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-2-oxo-8-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

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-oxo-8-prop-2-enylchromene-3-carboxamide?
The IUPAC name of N,N-dimethyl-2-oxo-8-prop-2-enylchromene-3-carboxamide (CID 696828) is N,N-dimethyl-2-oxo-8-prop-2-enylchromene-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-oxo-8-prop-2-enylchromene-3-carboxamide?
The canonical SMILES for N,N-dimethyl-2-oxo-8-prop-2-enylchromene-3-carboxamide is C=CCc1cccc2cc(C(=O)N(C)C)c(=O)oc12.
What is the InChIKey of N,N-dimethyl-2-oxo-8-prop-2-enylchromene-3-carboxamide?
The InChIKey is BLINFQFHNUCYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-4-6-10-7-5-8-11-9-12(14(17)16(2)3)15(18)19-13(10)11/h4-5,7-9H,1,6H2,2-3H3.
What are the key properties of N,N-dimethyl-2-oxo-8-prop-2-enylchromene-3-carboxamide?
N,N-dimethyl-2-oxo-8-prop-2-enylchromene-3-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-oxo-8-prop-2-enylchromene-3-carboxamide is sourced from PubChem (CID 696828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).