3-[N-(2-methoxyphenyl)-C-methylcarbonimidoyl]chromen-2-one

C18H15NO3 — CID 2751679

IUPAC3-[N-(2-methoxyphenyl)-C-methylcarbonimidoyl]chromen-2-one
SMILESCOc1ccccc1/N=C(\C)c1cc2ccccc2oc1=O
InChIInChI=1S/C18H15NO3/c1-12(19-15-8-4-6-10-17(15)21-2)14-11-13-7-3-5-9-16(13)22-18(14)20/h3-11H,1-2H3/b19-12+
InChIKeyDFCRXVYCEDQXED-XDHOZWIPSA-N
MW293.32 g/mol
LogP3.94
Rot. Bonds3

About 3-[N-(2-methoxyphenyl)-C-methylcarbonimidoyl]chromen-2-one

3-[N-(2-methoxyphenyl)-C-methylcarbonimidoyl]chromen-2-one (PubChem CID 2751679) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 3-[N-(2-methoxyphenyl)-C-methylcarbonimidoyl]chromen-2-one.

Molecular Properties

Compound Name3-[N-(2-methoxyphenyl)-C-methylcarbonimidoyl]chromen-2-one
PubChem CID2751679
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name3-[N-(2-methoxyphenyl)-C-methylcarbonimidoyl]chromen-2-one
SMILESCOc1ccccc1/N=C(\C)c1cc2ccccc2oc1=O
InChIInChI=1S/C18H15NO3/c1-12(19-15-8-4-6-10-17(15)21-2)14-11-13-7-3-5-9-16(13)22-18(14)20/h3-11H,1-2H3/b19-12+
InChIKeyDFCRXVYCEDQXED-XDHOZWIPSA-N
XLogP3.94
TPSA51.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[C-methyl-N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]carbonimidoyl]chromen-2-one
CID 50741718
3-[C-methyl-N-[2-[1-(2-oxochromen-3-yl)ethylideneamino]ethyl]carbonimidoyl]chromen-2-one
CID 50741694
3-[C-methyl-N-(5-sulfanyl-1H-imidazol-2-yl)carbonimidoyl]chromen-2-one
CID 75541771
2-(2-methoxyphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 53334824
3-[(E)-N-[(4-fluorophenyl)methoxy]-C-methylcarbonimidoyl]chromen-2-one
CID 177375369
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-oxochromen-3-yl)ethylideneamino]carbamate
CID 8972749
3-[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]chromen-2-one
CID 7066931
2-oxochromene-3-carboxylic acid
CID 161011590
(4aS,9aR)-6-[1-(2-oxochromen-3-yl)ethylideneamino]-4a,9a-dihydroanthracene-9,10-dione
CID 7160228
(4aR,9aS)-6-[1-(2-oxochromen-3-yl)ethylideneamino]-4a,9a-dihydroanthracene-9,10-dione
CID 7160229

Frequently Asked Questions

What is the IUPAC name of 3-[N-(2-methoxyphenyl)-C-methylcarbonimidoyl]chromen-2-one?
The IUPAC name of 3-[N-(2-methoxyphenyl)-C-methylcarbonimidoyl]chromen-2-one (CID 2751679) is 3-[N-(2-methoxyphenyl)-C-methylcarbonimidoyl]chromen-2-one.
What is the SMILES notation for 3-[N-(2-methoxyphenyl)-C-methylcarbonimidoyl]chromen-2-one?
The canonical SMILES for 3-[N-(2-methoxyphenyl)-C-methylcarbonimidoyl]chromen-2-one is COc1ccccc1/N=C(\C)c1cc2ccccc2oc1=O.
What is the InChIKey of 3-[N-(2-methoxyphenyl)-C-methylcarbonimidoyl]chromen-2-one?
The InChIKey is DFCRXVYCEDQXED-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H15NO3/c1-12(19-15-8-4-6-10-17(15)21-2)14-11-13-7-3-5-9-16(13)22-18(14)20/h3-11H,1-2H3/b19-12+.
What are the key properties of 3-[N-(2-methoxyphenyl)-C-methylcarbonimidoyl]chromen-2-one?
3-[N-(2-methoxyphenyl)-C-methylcarbonimidoyl]chromen-2-one has a molecular weight of 293.32 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-(2-methoxyphenyl)-C-methylcarbonimidoyl]chromen-2-one is sourced from PubChem (CID 2751679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).