(1S)-N'-(2-phenylacetyl)cyclohex-3-ene-1-carbohydrazide

C15H18N2O2 — CID 766579

IUPAC(1S)-N'-(2-phenylacetyl)cyclohex-3-ene-1-carbohydrazide
SMILESO=C(Cc1ccccc1)NNC(=O)[C@@H]1CC=CCC1
InChIInChI=1S/C15H18N2O2/c18-14(11-12-7-3-1-4-8-12)16-17-15(19)13-9-5-2-6-10-13/h1-5,7-8,13H,6,9-11H2,(H,16,18)(H,17,19)/t13-/m1/s1
InChIKeyMICKIOCYIUPUDX-CYBMUJFWSA-N
MW258.32 g/mol
LogP1.73
Rot. Bonds3

About (1S)-N'-(2-phenylacetyl)cyclohex-3-ene-1-carbohydrazide

(1S)-N'-(2-phenylacetyl)cyclohex-3-ene-1-carbohydrazide (PubChem CID 766579) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is (1S)-N'-(2-phenylacetyl)cyclohex-3-ene-1-carbohydrazide.

Molecular Properties

Compound Name(1S)-N'-(2-phenylacetyl)cyclohex-3-ene-1-carbohydrazide
PubChem CID766579
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name(1S)-N'-(2-phenylacetyl)cyclohex-3-ene-1-carbohydrazide
SMILESO=C(Cc1ccccc1)NNC(=O)[C@@H]1CC=CCC1
InChIInChI=1S/C15H18N2O2/c18-14(11-12-7-3-1-4-8-12)16-17-15(19)13-9-5-2-6-10-13/h1-5,7-8,13H,6,9-11H2,(H,16,18)(H,17,19)/t13-/m1/s1
InChIKeyMICKIOCYIUPUDX-CYBMUJFWSA-N
XLogP1.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(1H-indol-3-yl)acetyl]cyclohex-3-ene-1-carbohydrazide
CID 46656997
N'-phenylcyclohex-3-ene-1-carbohydrazide
CID 14323120
(1S)-N'-[2-(2-fluorophenyl)sulfanylacetyl]cyclohex-3-ene-1-carbohydrazide
CID 26785346
N'-(2-phenylacetyl)piperidine-4-carbohydrazide
CID 82121690
trans-(1R,2R)-2-[[(2-phenylacetyl)amino]carbamoyl]cyclohexane-1-carboxylic acid
CID 6545228
(1S)-N'-(cyclopentanecarbonyl)cyclohex-3-ene-1-carbohydrazide
CID 51983300
(1R)-N'-(cyclopentanecarbonyl)cyclohex-3-ene-1-carbohydrazide
CID 51983299
2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]acetic acid
CID 24700813
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclohex-3-ene-1-carboxamide
CID 107861462
N-(1-hydroxy-3-phenylpropan-2-yl)cyclohex-3-ene-1-carboxamide
CID 63261072
benzyl 2-cyclohex-3-en-1-yl-2-oxoacetate
CID 67475982
(1R)-N-[benzyl(methyl)sulfamoyl]cyclohex-3-ene-1-carboxamide
CID 94192956

Frequently Asked Questions

What is the IUPAC name of (1S)-N'-(2-phenylacetyl)cyclohex-3-ene-1-carbohydrazide?
The IUPAC name of (1S)-N'-(2-phenylacetyl)cyclohex-3-ene-1-carbohydrazide (CID 766579) is (1S)-N'-(2-phenylacetyl)cyclohex-3-ene-1-carbohydrazide.
What is the SMILES notation for (1S)-N'-(2-phenylacetyl)cyclohex-3-ene-1-carbohydrazide?
The canonical SMILES for (1S)-N'-(2-phenylacetyl)cyclohex-3-ene-1-carbohydrazide is O=C(Cc1ccccc1)NNC(=O)[C@@H]1CC=CCC1.
What is the InChIKey of (1S)-N'-(2-phenylacetyl)cyclohex-3-ene-1-carbohydrazide?
The InChIKey is MICKIOCYIUPUDX-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-14(11-12-7-3-1-4-8-12)16-17-15(19)13-9-5-2-6-10-13/h1-5,7-8,13H,6,9-11H2,(H,16,18)(H,17,19)/t13-/m1/s1.
What are the key properties of (1S)-N'-(2-phenylacetyl)cyclohex-3-ene-1-carbohydrazide?
(1S)-N'-(2-phenylacetyl)cyclohex-3-ene-1-carbohydrazide has a molecular weight of 258.32 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N'-(2-phenylacetyl)cyclohex-3-ene-1-carbohydrazide is sourced from PubChem (CID 766579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).