(2S,3E)-2-(2,2-diphenylacetyl)-3-hydrazinylideneinden-1-one

C23H18N2O2 — CID 98046378

IUPAC(2S,3E)-2-(2,2-diphenylacetyl)-3-hydrazinylideneinden-1-one
SMILESN/N=C1/c2ccccc2C(=O)[C@@H]1C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H18N2O2/c24-25-21-17-13-7-8-14-18(17)22(26)20(21)23(27)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19-20H,24H2/b25-21-/t20-/m1/s1
InChIKeyQBGMRRUHCFHZLC-DFBXPRTLSA-N
MW354.41 g/mol
LogP3.56
Rot. Bonds4

About (2S,3E)-2-(2,2-diphenylacetyl)-3-hydrazinylideneinden-1-one

(2S,3E)-2-(2,2-diphenylacetyl)-3-hydrazinylideneinden-1-one (PubChem CID 98046378) has the molecular formula C23H18N2O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is (2S,3E)-2-(2,2-diphenylacetyl)-3-hydrazinylideneinden-1-one.

Molecular Properties

Compound Name(2S,3E)-2-(2,2-diphenylacetyl)-3-hydrazinylideneinden-1-one
PubChem CID98046378
Molecular FormulaC23H18N2O2
Molecular Weight354.41 g/mol
Exact Mass354.14
IUPAC Name(2S,3E)-2-(2,2-diphenylacetyl)-3-hydrazinylideneinden-1-one
SMILESN/N=C1/c2ccccc2C(=O)[C@@H]1C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H18N2O2/c24-25-21-17-13-7-8-14-18(17)22(26)20(21)23(27)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19-20H,24H2/b25-21-/t20-/m1/s1
InChIKeyQBGMRRUHCFHZLC-DFBXPRTLSA-N
XLogP3.56
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', '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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Frequently Asked Questions

What is the IUPAC name of (2S,3E)-2-(2,2-diphenylacetyl)-3-hydrazinylideneinden-1-one?
The IUPAC name of (2S,3E)-2-(2,2-diphenylacetyl)-3-hydrazinylideneinden-1-one (CID 98046378) is (2S,3E)-2-(2,2-diphenylacetyl)-3-hydrazinylideneinden-1-one.
What is the SMILES notation for (2S,3E)-2-(2,2-diphenylacetyl)-3-hydrazinylideneinden-1-one?
The canonical SMILES for (2S,3E)-2-(2,2-diphenylacetyl)-3-hydrazinylideneinden-1-one is N/N=C1/c2ccccc2C(=O)[C@@H]1C(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,3E)-2-(2,2-diphenylacetyl)-3-hydrazinylideneinden-1-one?
The InChIKey is QBGMRRUHCFHZLC-DFBXPRTLSA-N. The full InChI is InChI=1S/C23H18N2O2/c24-25-21-17-13-7-8-14-18(17)22(26)20(21)23(27)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19-20H,24H2/b25-21-/t20-/m1/s1.
What are the key properties of (2S,3E)-2-(2,2-diphenylacetyl)-3-hydrazinylideneinden-1-one?
(2S,3E)-2-(2,2-diphenylacetyl)-3-hydrazinylideneinden-1-one has a molecular weight of 354.41 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3E)-2-(2,2-diphenylacetyl)-3-hydrazinylideneinden-1-one is sourced from PubChem (CID 98046378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).