(2Z)-2-hydroxyimino-3H-inden-1-one

C9H7NO2 — CID 6399489

IUPAC(2Z)-2-hydroxyimino-3H-inden-1-one
SMILESO=C1/C(=N\O)Cc2ccccc21
InChIInChI=1S/C9H7NO2/c11-9-7-4-2-1-3-6(7)5-8(9)10-12/h1-4,12H,5H2/b10-8-
InChIKeyCWEXMSPEUDRDPH-NTMALXAHSA-N
MW161.16 g/mol
LogP1.26
Rot. Bonds

About (2Z)-2-hydroxyimino-3H-inden-1-one

(2Z)-2-hydroxyimino-3H-inden-1-one (PubChem CID 6399489) has the molecular formula C9H7NO2 and a molecular weight of 161.16 g/mol. Its IUPAC name is (2Z)-2-hydroxyimino-3H-inden-1-one.

Molecular Properties

Compound Name(2Z)-2-hydroxyimino-3H-inden-1-one
PubChem CID6399489
Molecular FormulaC9H7NO2
Molecular Weight161.16 g/mol
Exact Mass161.05
IUPAC Name(2Z)-2-hydroxyimino-3H-inden-1-one
SMILESO=C1/C(=N\O)Cc2ccccc21
InChIInChI=1S/C9H7NO2/c11-9-7-4-2-1-3-6(7)5-8(9)10-12/h1-4,12H,5H2/b10-8-
InChIKeyCWEXMSPEUDRDPH-NTMALXAHSA-N
XLogP1.26
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', '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 (2Z)-2-hydroxyimino-3H-inden-1-one?
The IUPAC name of (2Z)-2-hydroxyimino-3H-inden-1-one (CID 6399489) is (2Z)-2-hydroxyimino-3H-inden-1-one.
What is the SMILES notation for (2Z)-2-hydroxyimino-3H-inden-1-one?
The canonical SMILES for (2Z)-2-hydroxyimino-3H-inden-1-one is O=C1/C(=N\O)Cc2ccccc21.
What is the InChIKey of (2Z)-2-hydroxyimino-3H-inden-1-one?
The InChIKey is CWEXMSPEUDRDPH-NTMALXAHSA-N. The full InChI is InChI=1S/C9H7NO2/c11-9-7-4-2-1-3-6(7)5-8(9)10-12/h1-4,12H,5H2/b10-8-.
What are the key properties of (2Z)-2-hydroxyimino-3H-inden-1-one?
(2Z)-2-hydroxyimino-3H-inden-1-one has a molecular weight of 161.16 g/mol, XLogP of 1.26, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-hydroxyimino-3H-inden-1-one is sourced from PubChem (CID 6399489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).