(9Z)-9-hydroxyimino-4-methylfuro[2,3-h]chromen-2-one

C12H9NO4 — CID 6267860

IUPAC(9Z)-9-hydroxyimino-4-methylfuro[2,3-h]chromen-2-one
SMILESCc1cc(=O)oc2c3c(ccc12)OC/C3=N\O
InChIInChI=1S/C12H9NO4/c1-6-4-10(14)17-12-7(6)2-3-9-11(12)8(13-15)5-16-9/h2-4,15H,5H2,1H3/b13-8+
InChIKeyHNFICSMJKHNUDK-MDWZMJQESA-N
MW231.21 g/mol
LogP1.67
Rot. Bonds

About (9Z)-9-hydroxyimino-4-methylfuro[2,3-h]chromen-2-one

(9Z)-9-hydroxyimino-4-methylfuro[2,3-h]chromen-2-one (PubChem CID 6267860) has the molecular formula C12H9NO4 and a molecular weight of 231.21 g/mol. Its IUPAC name is (9Z)-9-hydroxyimino-4-methylfuro[2,3-h]chromen-2-one.

Molecular Properties

Compound Name(9Z)-9-hydroxyimino-4-methylfuro[2,3-h]chromen-2-one
PubChem CID6267860
Molecular FormulaC12H9NO4
Molecular Weight231.21 g/mol
Exact Mass231.05
IUPAC Name(9Z)-9-hydroxyimino-4-methylfuro[2,3-h]chromen-2-one
SMILESCc1cc(=O)oc2c3c(ccc12)OC/C3=N\O
InChIInChI=1S/C12H9NO4/c1-6-4-10(14)17-12-7(6)2-3-9-11(12)8(13-15)5-16-9/h2-4,15H,5H2,1H3/b13-8+
InChIKeyHNFICSMJKHNUDK-MDWZMJQESA-N
XLogP1.67
TPSA72.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 51.67
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 (9Z)-9-hydroxyimino-4-methylfuro[2,3-h]chromen-2-one?
The IUPAC name of (9Z)-9-hydroxyimino-4-methylfuro[2,3-h]chromen-2-one (CID 6267860) is (9Z)-9-hydroxyimino-4-methylfuro[2,3-h]chromen-2-one.
What is the SMILES notation for (9Z)-9-hydroxyimino-4-methylfuro[2,3-h]chromen-2-one?
The canonical SMILES for (9Z)-9-hydroxyimino-4-methylfuro[2,3-h]chromen-2-one is Cc1cc(=O)oc2c3c(ccc12)OC/C3=N\O.
What is the InChIKey of (9Z)-9-hydroxyimino-4-methylfuro[2,3-h]chromen-2-one?
The InChIKey is HNFICSMJKHNUDK-MDWZMJQESA-N. The full InChI is InChI=1S/C12H9NO4/c1-6-4-10(14)17-12-7(6)2-3-9-11(12)8(13-15)5-16-9/h2-4,15H,5H2,1H3/b13-8+.
What are the key properties of (9Z)-9-hydroxyimino-4-methylfuro[2,3-h]chromen-2-one?
(9Z)-9-hydroxyimino-4-methylfuro[2,3-h]chromen-2-one has a molecular weight of 231.21 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z)-9-hydroxyimino-4-methylfuro[2,3-h]chromen-2-one is sourced from PubChem (CID 6267860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).