3-(N-hydroxy-C-methylcarbonimidoyl)chromen-2-one

C11H9NO3 — CID 661318

IUPAC3-(N-hydroxy-C-methylcarbonimidoyl)chromen-2-one
SMILESCC(=NO)c1cc2ccccc2oc1=O
InChIInChI=1S/C11H9NO3/c1-7(12-14)9-6-8-4-2-3-5-10(8)15-11(9)13/h2-6,14H,1H3
InChIKeyKCMRZOXMXWFGPX-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.99
Rot. Bonds1

About 3-(N-hydroxy-C-methylcarbonimidoyl)chromen-2-one

3-(N-hydroxy-C-methylcarbonimidoyl)chromen-2-one (PubChem CID 661318) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 3-(N-hydroxy-C-methylcarbonimidoyl)chromen-2-one.

Molecular Properties

Compound Name3-(N-hydroxy-C-methylcarbonimidoyl)chromen-2-one
PubChem CID661318
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name3-(N-hydroxy-C-methylcarbonimidoyl)chromen-2-one
SMILESCC(=NO)c1cc2ccccc2oc1=O
InChIInChI=1S/C11H9NO3/c1-7(12-14)9-6-8-4-2-3-5-10(8)15-11(9)13/h2-6,14H,1H3
InChIKeyKCMRZOXMXWFGPX-UHFFFAOYSA-N
XLogP1.99
TPSA62.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(N-hydroxy-C-methylcarbonimidoyl)chromen-2-one?
The IUPAC name of 3-(N-hydroxy-C-methylcarbonimidoyl)chromen-2-one (CID 661318) is 3-(N-hydroxy-C-methylcarbonimidoyl)chromen-2-one.
What is the SMILES notation for 3-(N-hydroxy-C-methylcarbonimidoyl)chromen-2-one?
The canonical SMILES for 3-(N-hydroxy-C-methylcarbonimidoyl)chromen-2-one is CC(=NO)c1cc2ccccc2oc1=O.
What is the InChIKey of 3-(N-hydroxy-C-methylcarbonimidoyl)chromen-2-one?
The InChIKey is KCMRZOXMXWFGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-7(12-14)9-6-8-4-2-3-5-10(8)15-11(9)13/h2-6,14H,1H3.
What are the key properties of 3-(N-hydroxy-C-methylcarbonimidoyl)chromen-2-one?
3-(N-hydroxy-C-methylcarbonimidoyl)chromen-2-one has a molecular weight of 203.20 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-hydroxy-C-methylcarbonimidoyl)chromen-2-one is sourced from PubChem (CID 661318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).