(1Z)-1-hydroxyimino-2,3-dihydroinden-4-ol

C9H9NO2 — CID 91619297

IUPAC(1Z)-1-hydroxyimino-2,3-dihydroinden-4-ol
SMILESO/N=C1/CCc2c(O)cccc21
InChIInChI=1S/C9H9NO2/c11-9-3-1-2-6-7(9)4-5-8(6)10-12/h1-3,11-12H,4-5H2/b10-8-
InChIKeyIQMLTLPOBWCRRE-NTMALXAHSA-N
MW163.18 g/mol
LogP1.52
Rot. Bonds

About (1Z)-1-hydroxyimino-2,3-dihydroinden-4-ol

(1Z)-1-hydroxyimino-2,3-dihydroinden-4-ol (PubChem CID 91619297) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is (1Z)-1-hydroxyimino-2,3-dihydroinden-4-ol.

Molecular Properties

Compound Name(1Z)-1-hydroxyimino-2,3-dihydroinden-4-ol
PubChem CID91619297
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name(1Z)-1-hydroxyimino-2,3-dihydroinden-4-ol
SMILESO/N=C1/CCc2c(O)cccc21
InChIInChI=1S/C9H9NO2/c11-9-3-1-2-6-7(9)4-5-8(6)10-12/h1-3,11-12H,4-5H2/b10-8-
InChIKeyIQMLTLPOBWCRRE-NTMALXAHSA-N
XLogP1.52
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (1Z)-1-hydroxyimino-2,3-dihydroinden-4-ol?
The IUPAC name of (1Z)-1-hydroxyimino-2,3-dihydroinden-4-ol (CID 91619297) is (1Z)-1-hydroxyimino-2,3-dihydroinden-4-ol.
What is the SMILES notation for (1Z)-1-hydroxyimino-2,3-dihydroinden-4-ol?
The canonical SMILES for (1Z)-1-hydroxyimino-2,3-dihydroinden-4-ol is O/N=C1/CCc2c(O)cccc21.
What is the InChIKey of (1Z)-1-hydroxyimino-2,3-dihydroinden-4-ol?
The InChIKey is IQMLTLPOBWCRRE-NTMALXAHSA-N. The full InChI is InChI=1S/C9H9NO2/c11-9-3-1-2-6-7(9)4-5-8(6)10-12/h1-3,11-12H,4-5H2/b10-8-.
What are the key properties of (1Z)-1-hydroxyimino-2,3-dihydroinden-4-ol?
(1Z)-1-hydroxyimino-2,3-dihydroinden-4-ol has a molecular weight of 163.18 g/mol, XLogP of 1.52, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-hydroxyimino-2,3-dihydroinden-4-ol is sourced from PubChem (CID 91619297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).