6-methyl-2-oxo-N-propylchromene-3-carboxamide

C14H15NO3 — CID 100794324

IUPAC6-methyl-2-oxo-N-propylchromene-3-carboxamide
SMILESCCCNC(=O)c1cc2cc(C)ccc2oc1=O
InChIInChI=1S/C14H15NO3/c1-3-6-15-13(16)11-8-10-7-9(2)4-5-12(10)18-14(11)17/h4-5,7-8H,3,6H2,1-2H3,(H,15,16)
InChIKeyYKCJHOFIRFGNFQ-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.24
Rot. Bonds3

About 6-methyl-2-oxo-N-propylchromene-3-carboxamide

6-methyl-2-oxo-N-propylchromene-3-carboxamide (PubChem CID 100794324) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 6-methyl-2-oxo-N-propylchromene-3-carboxamide.

Molecular Properties

Compound Name6-methyl-2-oxo-N-propylchromene-3-carboxamide
PubChem CID100794324
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name6-methyl-2-oxo-N-propylchromene-3-carboxamide
SMILESCCCNC(=O)c1cc2cc(C)ccc2oc1=O
InChIInChI=1S/C14H15NO3/c1-3-6-15-13(16)11-8-10-7-9(2)4-5-12(10)18-14(11)17/h4-5,7-8H,3,6H2,1-2H3,(H,15,16)
InChIKeyYKCJHOFIRFGNFQ-UHFFFAOYSA-N
XLogP2.24
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide
CID 100794566
N-(4-butylphenyl)-6-methyl-2-oxochromene-3-carboxamide
CID 100794539
N-(2,6-dimethylphenyl)-6-methyl-2-oxochromene-3-carboxamide
CID 100794377
N-ethyl-6-fluoro-2-oxochromene-3-carboxamide
CID 110486838
[2-oxo-3-(propylcarbamoyl)chromen-7-yl] 2-(2-bromo-4-methylphenoxy)acetate
CID 19187027
ethyl 2-[(6-bromo-2-oxochromene-3-carbonyl)amino]acetate
CID 3769308
6-methoxy-N-(3-methoxypropyl)-2-oxochromene-3-carboxamide
CID 2148152
[2-oxo-3-(propylcarbamoyl)chromen-7-yl] benzoate
CID 19185805
1-(5-methyl-1-benzofuran-2-yl)-2-(propylamino)ethanone
CID 114736423
3-(1-hydroxy-3-oxobut-1-enyl)-6-methylchromen-2-one
CID 132990964
2-(6-methyl-2-oxochromene-3-carbonyl)oxyacetate
CID 170530300
N-(1,3-benzodioxol-5-yl)-6-methyl-2-oxochromene-3-carboxamide
CID 100794451

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-N-propylchromene-3-carboxamide?
The IUPAC name of 6-methyl-2-oxo-N-propylchromene-3-carboxamide (CID 100794324) is 6-methyl-2-oxo-N-propylchromene-3-carboxamide.
What is the SMILES notation for 6-methyl-2-oxo-N-propylchromene-3-carboxamide?
The canonical SMILES for 6-methyl-2-oxo-N-propylchromene-3-carboxamide is CCCNC(=O)c1cc2cc(C)ccc2oc1=O.
What is the InChIKey of 6-methyl-2-oxo-N-propylchromene-3-carboxamide?
The InChIKey is YKCJHOFIRFGNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-3-6-15-13(16)11-8-10-7-9(2)4-5-12(10)18-14(11)17/h4-5,7-8H,3,6H2,1-2H3,(H,15,16).
What are the key properties of 6-methyl-2-oxo-N-propylchromene-3-carboxamide?
6-methyl-2-oxo-N-propylchromene-3-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-N-propylchromene-3-carboxamide is sourced from PubChem (CID 100794324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).