3-hydroxyimino-2-propan-2-ylfuro[3,2-g]chromen-7-one

C14H13NO4 — CID 3115283

IUPAC3-hydroxyimino-2-propan-2-ylfuro[3,2-g]chromen-7-one
SMILESCC(C)C1Oc2cc3oc(=O)ccc3cc2C1=NO
InChIInChI=1S/C14H13NO4/c1-7(2)14-13(15-17)9-5-8-3-4-12(16)18-10(8)6-11(9)19-14/h3-7,14,17H,1-2H3
InChIKeyVYRMLCIFDGFKEL-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.39
Rot. Bonds1

About 3-hydroxyimino-2-propan-2-ylfuro[3,2-g]chromen-7-one

3-hydroxyimino-2-propan-2-ylfuro[3,2-g]chromen-7-one (PubChem CID 3115283) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 3-hydroxyimino-2-propan-2-ylfuro[3,2-g]chromen-7-one.

Molecular Properties

Compound Name3-hydroxyimino-2-propan-2-ylfuro[3,2-g]chromen-7-one
PubChem CID3115283
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name3-hydroxyimino-2-propan-2-ylfuro[3,2-g]chromen-7-one
SMILESCC(C)C1Oc2cc3oc(=O)ccc3cc2C1=NO
InChIInChI=1S/C14H13NO4/c1-7(2)14-13(15-17)9-5-8-3-4-12(16)18-10(8)6-11(9)19-14/h3-7,14,17H,1-2H3
InChIKeyVYRMLCIFDGFKEL-UHFFFAOYSA-N
XLogP2.39
TPSA72.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.39
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': '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-hydroxyimino-2-propan-2-ylfuro[3,2-g]chromen-7-one?
The IUPAC name of 3-hydroxyimino-2-propan-2-ylfuro[3,2-g]chromen-7-one (CID 3115283) is 3-hydroxyimino-2-propan-2-ylfuro[3,2-g]chromen-7-one.
What is the SMILES notation for 3-hydroxyimino-2-propan-2-ylfuro[3,2-g]chromen-7-one?
The canonical SMILES for 3-hydroxyimino-2-propan-2-ylfuro[3,2-g]chromen-7-one is CC(C)C1Oc2cc3oc(=O)ccc3cc2C1=NO.
What is the InChIKey of 3-hydroxyimino-2-propan-2-ylfuro[3,2-g]chromen-7-one?
The InChIKey is VYRMLCIFDGFKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-7(2)14-13(15-17)9-5-8-3-4-12(16)18-10(8)6-11(9)19-14/h3-7,14,17H,1-2H3.
What are the key properties of 3-hydroxyimino-2-propan-2-ylfuro[3,2-g]chromen-7-one?
3-hydroxyimino-2-propan-2-ylfuro[3,2-g]chromen-7-one has a molecular weight of 259.26 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxyimino-2-propan-2-ylfuro[3,2-g]chromen-7-one is sourced from PubChem (CID 3115283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).