3-hydrazinylidene-1H-inden-2-one

C9H8N2O — CID 131160811

IUPAC3-hydrazinylidene-1H-inden-2-one
SMILESNN=C1C(=O)Cc2ccccc21
InChIInChI=1S/C9H8N2O/c10-11-9-7-4-2-1-3-6(7)5-8(9)12/h1-4H,5,10H2
InChIKeyUAGANBREOWDEOC-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.47
Rot. Bonds

About 3-hydrazinylidene-1H-inden-2-one

3-hydrazinylidene-1H-inden-2-one (PubChem CID 131160811) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 3-hydrazinylidene-1H-inden-2-one.

Molecular Properties

Compound Name3-hydrazinylidene-1H-inden-2-one
PubChem CID131160811
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name3-hydrazinylidene-1H-inden-2-one
SMILESNN=C1C(=O)Cc2ccccc21
InChIInChI=1S/C9H8N2O/c10-11-9-7-4-2-1-3-6(7)5-8(9)12/h1-4H,5,10H2
InChIKeyUAGANBREOWDEOC-UHFFFAOYSA-N
XLogP0.47
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaene-2,11-dione
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tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-9,10-dione
CID 606622
3-imino-1H-inden-2-one
CID 142098046
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CID 123741293
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CID 21051927
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CID 174601741
9H-fluorene;oxozirconium
CID 174355249
10H-anthracen-9-one;fluoren-9-one
CID 67642372
2-methoxy-N-[(E)-(2-oxo-3H-inden-1-ylidene)amino]benzamide
CID 172944477
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Frequently Asked Questions

What is the IUPAC name of 3-hydrazinylidene-1H-inden-2-one?
The IUPAC name of 3-hydrazinylidene-1H-inden-2-one (CID 131160811) is 3-hydrazinylidene-1H-inden-2-one.
What is the SMILES notation for 3-hydrazinylidene-1H-inden-2-one?
The canonical SMILES for 3-hydrazinylidene-1H-inden-2-one is NN=C1C(=O)Cc2ccccc21.
What is the InChIKey of 3-hydrazinylidene-1H-inden-2-one?
The InChIKey is UAGANBREOWDEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c10-11-9-7-4-2-1-3-6(7)5-8(9)12/h1-4H,5,10H2.
What are the key properties of 3-hydrazinylidene-1H-inden-2-one?
3-hydrazinylidene-1H-inden-2-one has a molecular weight of 160.18 g/mol, XLogP of 0.47, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinylidene-1H-inden-2-one is sourced from PubChem (CID 131160811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).