N'-phenylcyclohex-3-ene-1-carbohydrazide

C13H16N2O — CID 14323120

IUPACN'-phenylcyclohex-3-ene-1-carbohydrazide
SMILESO=C(NNc1ccccc1)C1CC=CCC1
InChIInChI=1S/C13H16N2O/c16-13(11-7-3-1-4-8-11)15-14-12-9-5-2-6-10-12/h1-3,5-6,9-11,14H,4,7-8H2,(H,15,16)
InChIKeyROZQUANHRWMAMG-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.49
Rot. Bonds3

About N'-phenylcyclohex-3-ene-1-carbohydrazide

N'-phenylcyclohex-3-ene-1-carbohydrazide (PubChem CID 14323120) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N'-phenylcyclohex-3-ene-1-carbohydrazide.

Molecular Properties

Compound NameN'-phenylcyclohex-3-ene-1-carbohydrazide
PubChem CID14323120
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN'-phenylcyclohex-3-ene-1-carbohydrazide
SMILESO=C(NNc1ccccc1)C1CC=CCC1
InChIInChI=1S/C13H16N2O/c16-13(11-7-3-1-4-8-11)15-14-12-9-5-2-6-10-12/h1-3,5-6,9-11,14H,4,7-8H2,(H,15,16)
InChIKeyROZQUANHRWMAMG-UHFFFAOYSA-N
XLogP2.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.49
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'-phenylcyclohexanecarbohydrazide
CID 544018
(1R)-N-(4-anilinophenyl)cyclohex-3-ene-1-carboxamide
CID 51927414
(1S)-N'-(2-phenylacetyl)cyclohex-3-ene-1-carbohydrazide
CID 766579
N-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]cyclohex-3-ene-1-carboxamide
CID 171577227
(1S)-N'-(cyclopentanecarbonyl)cyclohex-3-ene-1-carbohydrazide
CID 51983300
(1R)-N'-(cyclopentanecarbonyl)cyclohex-3-ene-1-carbohydrazide
CID 51983299
(1R)-N-(4-phenoxyphenyl)cyclohex-3-ene-1-carboxamide
CID 8780376
(1R)-N-naphthalen-2-ylcyclohex-3-ene-1-carboxamide
CID 8762294
(1S)-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]cyclohex-3-ene-1-carboxamide
CID 95986113
(1S)-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 98672750
N-(4-acetamidophenyl)cyclohex-3-ene-1-carboxamide
CID 17394995
2-(anilinocarbamoyl)cycloheptane-1-carboxylic acid
CID 130296548

Frequently Asked Questions

What is the IUPAC name of N'-phenylcyclohex-3-ene-1-carbohydrazide?
The IUPAC name of N'-phenylcyclohex-3-ene-1-carbohydrazide (CID 14323120) is N'-phenylcyclohex-3-ene-1-carbohydrazide.
What is the SMILES notation for N'-phenylcyclohex-3-ene-1-carbohydrazide?
The canonical SMILES for N'-phenylcyclohex-3-ene-1-carbohydrazide is O=C(NNc1ccccc1)C1CC=CCC1.
What is the InChIKey of N'-phenylcyclohex-3-ene-1-carbohydrazide?
The InChIKey is ROZQUANHRWMAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c16-13(11-7-3-1-4-8-11)15-14-12-9-5-2-6-10-12/h1-3,5-6,9-11,14H,4,7-8H2,(H,15,16).
What are the key properties of N'-phenylcyclohex-3-ene-1-carbohydrazide?
N'-phenylcyclohex-3-ene-1-carbohydrazide has a molecular weight of 216.28 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-phenylcyclohex-3-ene-1-carbohydrazide is sourced from PubChem (CID 14323120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).