ethyl N-[4-methyl-2-oxo-8-(2-oxoethyl)chromen-7-yl]carbamate

C15H15NO5 — CID 59776448

IUPACethyl N-[4-methyl-2-oxo-8-(2-oxoethyl)chromen-7-yl]carbamate
SMILESCCOC(=O)Nc1ccc2c(C)cc(=O)oc2c1CC=O
InChIInChI=1S/C15H15NO5/c1-3-20-15(19)16-12-5-4-10-9(2)8-13(18)21-14(10)11(12)6-7-17/h4-5,7-8H,3,6H2,1-2H3,(H,16,19)
InChIKeyBNCQMYCTZOFTEE-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.41
Rot. Bonds4

About ethyl N-[4-methyl-2-oxo-8-(2-oxoethyl)chromen-7-yl]carbamate

ethyl N-[4-methyl-2-oxo-8-(2-oxoethyl)chromen-7-yl]carbamate (PubChem CID 59776448) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is ethyl N-[4-methyl-2-oxo-8-(2-oxoethyl)chromen-7-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-methyl-2-oxo-8-(2-oxoethyl)chromen-7-yl]carbamate
PubChem CID59776448
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Nameethyl N-[4-methyl-2-oxo-8-(2-oxoethyl)chromen-7-yl]carbamate
SMILESCCOC(=O)Nc1ccc2c(C)cc(=O)oc2c1CC=O
InChIInChI=1S/C15H15NO5/c1-3-20-15(19)16-12-5-4-10-9(2)8-13(18)21-14(10)11(12)6-7-17/h4-5,7-8H,3,6H2,1-2H3,(H,16,19)
InChIKeyBNCQMYCTZOFTEE-UHFFFAOYSA-N
XLogP2.41
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-(4,8-dimethyl-2-oxochromen-7-yl)carbamate
CID 14690244
ethyl N-(4,6-dimethyl-8-nitro-2-oxochromen-7-yl)carbamate
CID 14690250
ethyl N-(2-formyl-4-methylphenyl)carbamate
CID 135178172
ethyl 4-oxo-8-prop-2-enyl-7-[(2,2,2-trifluoroacetyl)amino]chromene-2-carboxylate
CID 86587734
2-(8-methoxy-4-methyl-2-oxochromen-7-yl)oxyacetaldehyde
CID 46703953
4-(ethoxycarbonylamino)-6-methylbenzene-1,3-dicarboxylic acid
CID 174441448
butyl N-(4-methyl-2-oxochromen-7-yl)carbamate
CID 3690863
ethyl (2S)-2-(8-iodo-4-methyl-2-oxochromen-7-yl)oxybutanoate
CID 1369278
ethyl 2-(8-iodo-4-methyl-2-oxochromen-7-yl)oxybutanoate
CID 2885137
2-hydroxy-N-(4-methyl-2-oxochromen-8-yl)acetamide
CID 91296883
ethyl 4-(7-hydroxy-4-methyl-2-oxo-8-prop-2-enylchromen-6-yl)-2,4-dioxobutanoate
CID 88718378
2-(4-methyl-2-oxochromen-8-yl)oxyacetamide
CID 87996295

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-methyl-2-oxo-8-(2-oxoethyl)chromen-7-yl]carbamate?
The IUPAC name of ethyl N-[4-methyl-2-oxo-8-(2-oxoethyl)chromen-7-yl]carbamate (CID 59776448) is ethyl N-[4-methyl-2-oxo-8-(2-oxoethyl)chromen-7-yl]carbamate.
What is the SMILES notation for ethyl N-[4-methyl-2-oxo-8-(2-oxoethyl)chromen-7-yl]carbamate?
The canonical SMILES for ethyl N-[4-methyl-2-oxo-8-(2-oxoethyl)chromen-7-yl]carbamate is CCOC(=O)Nc1ccc2c(C)cc(=O)oc2c1CC=O.
What is the InChIKey of ethyl N-[4-methyl-2-oxo-8-(2-oxoethyl)chromen-7-yl]carbamate?
The InChIKey is BNCQMYCTZOFTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c1-3-20-15(19)16-12-5-4-10-9(2)8-13(18)21-14(10)11(12)6-7-17/h4-5,7-8H,3,6H2,1-2H3,(H,16,19).
What are the key properties of ethyl N-[4-methyl-2-oxo-8-(2-oxoethyl)chromen-7-yl]carbamate?
ethyl N-[4-methyl-2-oxo-8-(2-oxoethyl)chromen-7-yl]carbamate has a molecular weight of 289.29 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-methyl-2-oxo-8-(2-oxoethyl)chromen-7-yl]carbamate is sourced from PubChem (CID 59776448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).