methyl N-(2-oxochromene-3-carbonyl)carbamate

C12H9NO5 — CID 901757

IUPACmethyl N-(2-oxochromene-3-carbonyl)carbamate
SMILESCOC(=O)NC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C12H9NO5/c1-17-12(16)13-10(14)8-6-7-4-2-3-5-9(7)18-11(8)15/h2-6H,1H3,(H,13,14,16)
InChIKeyYCFZKMDLXWSMEI-UHFFFAOYSA-N
MW247.21 g/mol
LogP1.29
Rot. Bonds1

About methyl N-(2-oxochromene-3-carbonyl)carbamate

methyl N-(2-oxochromene-3-carbonyl)carbamate (PubChem CID 901757) has the molecular formula C12H9NO5 and a molecular weight of 247.21 g/mol. Its IUPAC name is methyl N-(2-oxochromene-3-carbonyl)carbamate.

Molecular Properties

Compound Namemethyl N-(2-oxochromene-3-carbonyl)carbamate
PubChem CID901757
Molecular FormulaC12H9NO5
Molecular Weight247.21 g/mol
Exact Mass247.05
IUPAC Namemethyl N-(2-oxochromene-3-carbonyl)carbamate
SMILESCOC(=O)NC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C12H9NO5/c1-17-12(16)13-10(14)8-6-7-4-2-3-5-9(7)18-11(8)15/h2-6H,1H3,(H,13,14,16)
InChIKeyYCFZKMDLXWSMEI-UHFFFAOYSA-N
XLogP1.29
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-carbamoyl-2-oxochromene-3-carboxamide
CID 849924
N-tert-butyl-2-oxochromene-3-carboxamide
CID 2798381
methyl N-[4-[[(2-oxochromene-3-carbonyl)amino]methyl]phenyl]carbamate
CID 47058004
[(2-oxochromene-3-carbonyl)amino]thiourea
CID 14494824
N-(2,2-dimethylpropyl)-2-oxochromene-3-carboxamide
CID 110473782
2-oxochromene-3-carboxylic acid
CID 161011590
N-[(4-bromophenyl)carbamothioyl]-2-oxochromene-3-carboxamide
CID 2333906
3-methoxy-2-[(2-oxochromene-3-carbonyl)amino]propanoic acid
CID 81084500
N-(benzhydrylideneamino)-2-oxochromene-3-carboxamide
CID 18284060
dimethyl 2-[(2-oxochromene-3-carbonyl)amino]benzene-1,4-dicarboxylate
CID 1033949
N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-oxochromene-3-carbohydrazide
CID 2145339
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-oxochromene-3-carbohydrazide
CID 1050674

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-oxochromene-3-carbonyl)carbamate?
The IUPAC name of methyl N-(2-oxochromene-3-carbonyl)carbamate (CID 901757) is methyl N-(2-oxochromene-3-carbonyl)carbamate.
What is the SMILES notation for methyl N-(2-oxochromene-3-carbonyl)carbamate?
The canonical SMILES for methyl N-(2-oxochromene-3-carbonyl)carbamate is COC(=O)NC(=O)c1cc2ccccc2oc1=O.
What is the InChIKey of methyl N-(2-oxochromene-3-carbonyl)carbamate?
The InChIKey is YCFZKMDLXWSMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO5/c1-17-12(16)13-10(14)8-6-7-4-2-3-5-9(7)18-11(8)15/h2-6H,1H3,(H,13,14,16).
What are the key properties of methyl N-(2-oxochromene-3-carbonyl)carbamate?
methyl N-(2-oxochromene-3-carbonyl)carbamate has a molecular weight of 247.21 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-oxochromene-3-carbonyl)carbamate is sourced from PubChem (CID 901757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).