(2Z)-2-hydroxyimino-1-oxo-3H-indene-4-carbonitrile

C10H6N2O2 — CID 144805883

IUPAC(2Z)-2-hydroxyimino-1-oxo-3H-indene-4-carbonitrile
SMILESN#Cc1cccc2c1C/C(=N/O)C2=O
InChIInChI=1S/C10H6N2O2/c11-5-6-2-1-3-7-8(6)4-9(12-14)10(7)13/h1-3,14H,4H2/b12-9-
InChIKeyRHZIUKQOAKOGFO-XFXZXTDPSA-N
MW186.17 g/mol
LogP1.13
Rot. Bonds

About (2Z)-2-hydroxyimino-1-oxo-3H-indene-4-carbonitrile

(2Z)-2-hydroxyimino-1-oxo-3H-indene-4-carbonitrile (PubChem CID 144805883) has the molecular formula C10H6N2O2 and a molecular weight of 186.17 g/mol. Its IUPAC name is (2Z)-2-hydroxyimino-1-oxo-3H-indene-4-carbonitrile.

Molecular Properties

Compound Name(2Z)-2-hydroxyimino-1-oxo-3H-indene-4-carbonitrile
PubChem CID144805883
Molecular FormulaC10H6N2O2
Molecular Weight186.17 g/mol
Exact Mass186.04
IUPAC Name(2Z)-2-hydroxyimino-1-oxo-3H-indene-4-carbonitrile
SMILESN#Cc1cccc2c1C/C(=N/O)C2=O
InChIInChI=1S/C10H6N2O2/c11-5-6-2-1-3-7-8(6)4-9(12-14)10(7)13/h1-3,14H,4H2/b12-9-
InChIKeyRHZIUKQOAKOGFO-XFXZXTDPSA-N
XLogP1.13
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

(3E)-3-hydroxyiminoinden-1-one
CID 6418558
2-bromo-1-oxo-2,3-dihydroindene-4-carbonitrile
CID 18790631
2-methyl-1-oxo-2,3-dihydroindene-4-carbonitrile
CID 19042305
7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaene-14-carbonitrile
CID 18790632
(NZ)-N-(4-cyano-2,3-dihydroinden-1-ylidene)-2-methylpropane-2-sulfinamide
CID 129225428
1-(1-phenylethylimino)-2,3-dihydroindene-4-carbonitrile
CID 174982415
6,7-dimethoxy-5,8-dioxonaphthalene-1-carbonitrile
CID 13255266
1-amino-3H-indene-4-carbonitrile
CID 146534450
3-methyl-1-oxo-2,3-dihydroindene-4-carbonitrile
CID 19042303
9,10,10-trioxothioxanthene-4-carbonitrile
CID 10492181
(1Z)-1-hydroxyimino-2,3-dihydroinden-4-ol
CID 91619297
3-(3-cyano-2-fluorophenyl)pyridine-2-carboxylic acid
CID 53223141

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-hydroxyimino-1-oxo-3H-indene-4-carbonitrile?
The IUPAC name of (2Z)-2-hydroxyimino-1-oxo-3H-indene-4-carbonitrile (CID 144805883) is (2Z)-2-hydroxyimino-1-oxo-3H-indene-4-carbonitrile.
What is the SMILES notation for (2Z)-2-hydroxyimino-1-oxo-3H-indene-4-carbonitrile?
The canonical SMILES for (2Z)-2-hydroxyimino-1-oxo-3H-indene-4-carbonitrile is N#Cc1cccc2c1C/C(=N/O)C2=O.
What is the InChIKey of (2Z)-2-hydroxyimino-1-oxo-3H-indene-4-carbonitrile?
The InChIKey is RHZIUKQOAKOGFO-XFXZXTDPSA-N. The full InChI is InChI=1S/C10H6N2O2/c11-5-6-2-1-3-7-8(6)4-9(12-14)10(7)13/h1-3,14H,4H2/b12-9-.
What are the key properties of (2Z)-2-hydroxyimino-1-oxo-3H-indene-4-carbonitrile?
(2Z)-2-hydroxyimino-1-oxo-3H-indene-4-carbonitrile has a molecular weight of 186.17 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-hydroxyimino-1-oxo-3H-indene-4-carbonitrile is sourced from PubChem (CID 144805883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).