[2-oxo-3-(propan-2-ylcarbamoyl)chromen-7-yl] acetate

C15H15NO5 — CID 19185609

IUPAC[2-oxo-3-(propan-2-ylcarbamoyl)chromen-7-yl] acetate
SMILESCC(=O)Oc1ccc2cc(C(=O)NC(C)C)c(=O)oc2c1
InChIInChI=1S/C15H15NO5/c1-8(2)16-14(18)12-6-10-4-5-11(20-9(3)17)7-13(10)21-15(12)19/h4-8H,1-3H3,(H,16,18)
InChIKeyLRCGCPFIXSFOPG-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.86
Rot. Bonds3

About [2-oxo-3-(propan-2-ylcarbamoyl)chromen-7-yl] acetate

[2-oxo-3-(propan-2-ylcarbamoyl)chromen-7-yl] acetate (PubChem CID 19185609) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is [2-oxo-3-(propan-2-ylcarbamoyl)chromen-7-yl] acetate.

Molecular Properties

Compound Name[2-oxo-3-(propan-2-ylcarbamoyl)chromen-7-yl] acetate
PubChem CID19185609
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name[2-oxo-3-(propan-2-ylcarbamoyl)chromen-7-yl] acetate
SMILESCC(=O)Oc1ccc2cc(C(=O)NC(C)C)c(=O)oc2c1
InChIInChI=1S/C15H15NO5/c1-8(2)16-14(18)12-6-10-4-5-11(20-9(3)17)7-13(10)21-15(12)19/h4-8H,1-3H3,(H,16,18)
InChIKeyLRCGCPFIXSFOPG-UHFFFAOYSA-N
XLogP1.86
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-oxo-3-(propan-2-ylcarbamoyl)chromen-7-yl] 2-oxochromene-3-carboxylate
CID 19186639
(3-acetyl-2-oxochromen-7-yl) acetate
CID 3905048
[2-oxo-3-(propan-2-ylcarbamoyl)chromen-7-yl] 3-bromobenzoate
CID 19186126
[2-oxo-3-(propan-2-ylcarbamoyl)chromen-7-yl] 3-phenylpropanoate
CID 19185737
2-[2-oxo-3-(propan-2-ylcarbamoyl)chromen-7-yl]oxy-2-phenylacetic acid
CID 22684544
[3-(2-methylpropylcarbamoyl)-2-oxochromen-7-yl] 2-methylpropanoate
CID 19185670
[3-(butan-2-ylcarbamoyl)-2-oxochromen-7-yl] butanoate
CID 19185665
ethyl 7-acetyloxy-2-oxochromene-3-carboxylate
CID 688600
[2-oxo-3-(propan-2-ylcarbamoyl)chromen-7-yl] 4-methyl-3-nitrobenzoate
CID 19186090
2-[(7-methoxy-2-oxochromene-3-carbonyl)amino]propanedioic acid
CID 20823648
[2-oxo-3-(propan-2-ylcarbamoyl)chromen-7-yl] 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 19187459
N-[(1S)-1-(4-chlorophenyl)ethyl]-7-methoxy-2-oxochromene-3-carboxamide
CID 100795278

Frequently Asked Questions

What is the IUPAC name of [2-oxo-3-(propan-2-ylcarbamoyl)chromen-7-yl] acetate?
The IUPAC name of [2-oxo-3-(propan-2-ylcarbamoyl)chromen-7-yl] acetate (CID 19185609) is [2-oxo-3-(propan-2-ylcarbamoyl)chromen-7-yl] acetate.
What is the SMILES notation for [2-oxo-3-(propan-2-ylcarbamoyl)chromen-7-yl] acetate?
The canonical SMILES for [2-oxo-3-(propan-2-ylcarbamoyl)chromen-7-yl] acetate is CC(=O)Oc1ccc2cc(C(=O)NC(C)C)c(=O)oc2c1.
What is the InChIKey of [2-oxo-3-(propan-2-ylcarbamoyl)chromen-7-yl] acetate?
The InChIKey is LRCGCPFIXSFOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c1-8(2)16-14(18)12-6-10-4-5-11(20-9(3)17)7-13(10)21-15(12)19/h4-8H,1-3H3,(H,16,18).
What are the key properties of [2-oxo-3-(propan-2-ylcarbamoyl)chromen-7-yl] acetate?
[2-oxo-3-(propan-2-ylcarbamoyl)chromen-7-yl] acetate has a molecular weight of 289.29 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-3-(propan-2-ylcarbamoyl)chromen-7-yl] acetate is sourced from PubChem (CID 19185609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).