ethyl N-[(Z)-1-(2-oxochromen-3-yl)ethylideneamino]carbamate

C14H14N2O4 — CID 8972749

IUPACethyl N-[(Z)-1-(2-oxochromen-3-yl)ethylideneamino]carbamate
SMILESCCOC(=O)N/N=C(/C)c1cc2ccccc2oc1=O
InChIInChI=1S/C14H14N2O4/c1-3-19-14(18)16-15-9(2)11-8-10-6-4-5-7-12(10)20-13(11)17/h4-8H,3H2,1-2H3,(H,16,18)/b15-9-
InChIKeyJGMQAHGQRWNPJY-DHDCSXOGSA-N
MW274.28 g/mol
LogP2.26
Rot. Bonds3

About ethyl N-[(Z)-1-(2-oxochromen-3-yl)ethylideneamino]carbamate

ethyl N-[(Z)-1-(2-oxochromen-3-yl)ethylideneamino]carbamate (PubChem CID 8972749) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is ethyl N-[(Z)-1-(2-oxochromen-3-yl)ethylideneamino]carbamate.

Molecular Properties

Compound Nameethyl N-[(Z)-1-(2-oxochromen-3-yl)ethylideneamino]carbamate
PubChem CID8972749
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Nameethyl N-[(Z)-1-(2-oxochromen-3-yl)ethylideneamino]carbamate
SMILESCCOC(=O)N/N=C(/C)c1cc2ccccc2oc1=O
InChIInChI=1S/C14H14N2O4/c1-3-19-14(18)16-15-9(2)11-8-10-6-4-5-7-12(10)20-13(11)17/h4-8H,3H2,1-2H3,(H,16,18)/b15-9-
InChIKeyJGMQAHGQRWNPJY-DHDCSXOGSA-N
XLogP2.26
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylphenyl)-N'-[(Z)-1-(2-oxochromen-3-yl)ethylideneamino]propanediamide
CID 5387144
3-methyl-N-[(Z)-1-(2-oxochromen-3-yl)ethylideneamino]-1-benzofuran-2-carboxamide
CID 9464399
ethyl N-[(Z)-1-(2-methylphenyl)ethylideneamino]carbamate
CID 87901864
2-(4-chloro-3-methylphenoxy)-N-[(Z)-1-(2-oxochromen-3-yl)ethylideneamino]acetamide
CID 9316740
3-[C-methyl-N-[2-[1-(2-oxochromen-3-yl)ethylideneamino]ethyl]carbonimidoyl]chromen-2-one
CID 50741694
1-[1-(2-oxochromen-3-yl)ethylideneamino]-3-prop-2-enylthiourea
CID 78618345
1-(4-bromophenyl)-3-[(E)-1-(2-oxochromen-3-yl)ethylideneamino]thiourea
CID 171905530
3-[N-[(2S)-1-aminopropan-2-yl]-C-methylcarbonimidoyl]chromen-2-one
CID 95242333
methyl N-(2-oxochromene-3-carbonyl)carbamate
CID 901757
ethyl N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]carbamate
CID 9075723
ethyl N-[(Z)-1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]carbamate
CID 9075990
3-[(E)-N-(3-chloroanilino)-C-methylcarbonimidoyl]chromen-2-one
CID 139225160

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(Z)-1-(2-oxochromen-3-yl)ethylideneamino]carbamate?
The IUPAC name of ethyl N-[(Z)-1-(2-oxochromen-3-yl)ethylideneamino]carbamate (CID 8972749) is ethyl N-[(Z)-1-(2-oxochromen-3-yl)ethylideneamino]carbamate.
What is the SMILES notation for ethyl N-[(Z)-1-(2-oxochromen-3-yl)ethylideneamino]carbamate?
The canonical SMILES for ethyl N-[(Z)-1-(2-oxochromen-3-yl)ethylideneamino]carbamate is CCOC(=O)N/N=C(/C)c1cc2ccccc2oc1=O.
What is the InChIKey of ethyl N-[(Z)-1-(2-oxochromen-3-yl)ethylideneamino]carbamate?
The InChIKey is JGMQAHGQRWNPJY-DHDCSXOGSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-3-19-14(18)16-15-9(2)11-8-10-6-4-5-7-12(10)20-13(11)17/h4-8H,3H2,1-2H3,(H,16,18)/b15-9-.
What are the key properties of ethyl N-[(Z)-1-(2-oxochromen-3-yl)ethylideneamino]carbamate?
ethyl N-[(Z)-1-(2-oxochromen-3-yl)ethylideneamino]carbamate has a molecular weight of 274.28 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(Z)-1-(2-oxochromen-3-yl)ethylideneamino]carbamate is sourced from PubChem (CID 8972749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).