N'-[(5R)-3-oxo-5-phenylcyclohexen-1-yl]benzohydrazide

C19H18N2O2 — CID 1274909

IUPACN'-[(5R)-3-oxo-5-phenylcyclohexen-1-yl]benzohydrazide
SMILESO=C1C=C(NNC(=O)c2ccccc2)C[C@@H](c2ccccc2)C1
InChIInChI=1S/C19H18N2O2/c22-18-12-16(14-7-3-1-4-8-14)11-17(13-18)20-21-19(23)15-9-5-2-6-10-15/h1-10,13,16,20H,11-12H2,(H,21,23)/t16-/m1/s1
InChIKeyIGUWGOACNHQENL-MRXNPFEDSA-N
MW306.37 g/mol
LogP2.95
Rot. Bonds4

About N'-[(5R)-3-oxo-5-phenylcyclohexen-1-yl]benzohydrazide

N'-[(5R)-3-oxo-5-phenylcyclohexen-1-yl]benzohydrazide (PubChem CID 1274909) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is N'-[(5R)-3-oxo-5-phenylcyclohexen-1-yl]benzohydrazide.

Molecular Properties

Compound NameN'-[(5R)-3-oxo-5-phenylcyclohexen-1-yl]benzohydrazide
PubChem CID1274909
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC NameN'-[(5R)-3-oxo-5-phenylcyclohexen-1-yl]benzohydrazide
SMILESO=C1C=C(NNC(=O)c2ccccc2)C[C@@H](c2ccccc2)C1
InChIInChI=1S/C19H18N2O2/c22-18-12-16(14-7-3-1-4-8-14)11-17(13-18)20-21-19(23)15-9-5-2-6-10-15/h1-10,13,16,20H,11-12H2,(H,21,23)/t16-/m1/s1
InChIKeyIGUWGOACNHQENL-MRXNPFEDSA-N
XLogP2.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(5R)-3-oxo-5-phenylcyclohexen-1-yl]benzohydrazide?
The IUPAC name of N'-[(5R)-3-oxo-5-phenylcyclohexen-1-yl]benzohydrazide (CID 1274909) is N'-[(5R)-3-oxo-5-phenylcyclohexen-1-yl]benzohydrazide.
What is the SMILES notation for N'-[(5R)-3-oxo-5-phenylcyclohexen-1-yl]benzohydrazide?
The canonical SMILES for N'-[(5R)-3-oxo-5-phenylcyclohexen-1-yl]benzohydrazide is O=C1C=C(NNC(=O)c2ccccc2)C[C@@H](c2ccccc2)C1.
What is the InChIKey of N'-[(5R)-3-oxo-5-phenylcyclohexen-1-yl]benzohydrazide?
The InChIKey is IGUWGOACNHQENL-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H18N2O2/c22-18-12-16(14-7-3-1-4-8-14)11-17(13-18)20-21-19(23)15-9-5-2-6-10-15/h1-10,13,16,20H,11-12H2,(H,21,23)/t16-/m1/s1.
What are the key properties of N'-[(5R)-3-oxo-5-phenylcyclohexen-1-yl]benzohydrazide?
N'-[(5R)-3-oxo-5-phenylcyclohexen-1-yl]benzohydrazide has a molecular weight of 306.37 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5R)-3-oxo-5-phenylcyclohexen-1-yl]benzohydrazide is sourced from PubChem (CID 1274909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).