(4Z)-4-hydroxyimino-2-methyl-3H-chromen-2-ol

C10H11NO3 — CID 135249307

IUPAC(4Z)-4-hydroxyimino-2-methyl-3H-chromen-2-ol
SMILESCC1(O)C/C(=N/O)c2ccccc2O1
InChIInChI=1S/C10H11NO3/c1-10(12)6-8(11-13)7-4-2-3-5-9(7)14-10/h2-5,12-13H,6H2,1H3/b11-8-
InChIKeyDCWPPLREKQLMFA-FLIBITNWSA-N
MW193.20 g/mol
LogP1.36
Rot. Bonds

About (4Z)-4-hydroxyimino-2-methyl-3H-chromen-2-ol

(4Z)-4-hydroxyimino-2-methyl-3H-chromen-2-ol (PubChem CID 135249307) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is (4Z)-4-hydroxyimino-2-methyl-3H-chromen-2-ol.

Molecular Properties

Compound Name(4Z)-4-hydroxyimino-2-methyl-3H-chromen-2-ol
PubChem CID135249307
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name(4Z)-4-hydroxyimino-2-methyl-3H-chromen-2-ol
SMILESCC1(O)C/C(=N/O)c2ccccc2O1
InChIInChI=1S/C10H11NO3/c1-10(12)6-8(11-13)7-4-2-3-5-9(7)14-10/h2-5,12-13H,6H2,1H3/b11-8-
InChIKeyDCWPPLREKQLMFA-FLIBITNWSA-N
XLogP1.36
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 (4Z)-4-hydroxyimino-2-methyl-3H-chromen-2-ol?
The IUPAC name of (4Z)-4-hydroxyimino-2-methyl-3H-chromen-2-ol (CID 135249307) is (4Z)-4-hydroxyimino-2-methyl-3H-chromen-2-ol.
What is the SMILES notation for (4Z)-4-hydroxyimino-2-methyl-3H-chromen-2-ol?
The canonical SMILES for (4Z)-4-hydroxyimino-2-methyl-3H-chromen-2-ol is CC1(O)C/C(=N/O)c2ccccc2O1.
What is the InChIKey of (4Z)-4-hydroxyimino-2-methyl-3H-chromen-2-ol?
The InChIKey is DCWPPLREKQLMFA-FLIBITNWSA-N. The full InChI is InChI=1S/C10H11NO3/c1-10(12)6-8(11-13)7-4-2-3-5-9(7)14-10/h2-5,12-13H,6H2,1H3/b11-8-.
What are the key properties of (4Z)-4-hydroxyimino-2-methyl-3H-chromen-2-ol?
(4Z)-4-hydroxyimino-2-methyl-3H-chromen-2-ol has a molecular weight of 193.20 g/mol, XLogP of 1.36, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-hydroxyimino-2-methyl-3H-chromen-2-ol is sourced from PubChem (CID 135249307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).