4-hydroxy-2-methyl-6-pentylcyclohex-2-ene-1-carbohydrazide

C13H24N2O2 — CID 3923259

IUPAC4-hydroxy-2-methyl-6-pentylcyclohex-2-ene-1-carbohydrazide
SMILESCCCCCC1CC(O)C=C(C)C1C(=O)NN
InChIInChI=1S/C13H24N2O2/c1-3-4-5-6-10-8-11(16)7-9(2)12(10)13(17)15-14/h7,10-12,16H,3-6,8,14H2,1-2H3,(H,15,17)
InChIKeyPPCFHJICCBNMPT-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.50
Rot. Bonds5

About 4-hydroxy-2-methyl-6-pentylcyclohex-2-ene-1-carbohydrazide

4-hydroxy-2-methyl-6-pentylcyclohex-2-ene-1-carbohydrazide (PubChem CID 3923259) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-6-pentylcyclohex-2-ene-1-carbohydrazide.

Molecular Properties

Compound Name4-hydroxy-2-methyl-6-pentylcyclohex-2-ene-1-carbohydrazide
PubChem CID3923259
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name4-hydroxy-2-methyl-6-pentylcyclohex-2-ene-1-carbohydrazide
SMILESCCCCCC1CC(O)C=C(C)C1C(=O)NN
InChIInChI=1S/C13H24N2O2/c1-3-4-5-6-10-8-11(16)7-9(2)12(10)13(17)15-14/h7,10-12,16H,3-6,8,14H2,1-2H3,(H,15,17)
InChIKeyPPCFHJICCBNMPT-UHFFFAOYSA-N
XLogP1.50
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (1R,4S,6R)-4-[3-(dimethylamino)propylamino]-2-methyl-6-pentylcyclohex-2-ene-1-carboxylate
CID 11907466
ethyl (1R,4R,6S)-4-[3-(dimethylamino)propylamino]-2-methyl-6-pentylcyclohex-2-ene-1-carboxylate
CID 11907472
3-[[(1R,4R,5S)-4-ethoxycarbonyl-3-methyl-5-pentylcyclohex-2-en-1-yl]azaniumyl]propyl-dimethylazanium
CID 11907471
sodium;ethyl 2-hydroxy-4-oxo-6-pentylcyclohex-2-ene-1-carboxylate;hydride
CID 175566850
methyl (1S,4Z,6R)-4-hydroxyimino-2-methyl-6-pentylcyclohex-2-ene-1-carboxylate
CID 7721895
2-[(1R,2S,3R)-3-hydroxy-2-pentylcyclopentyl]acetohydrazide
CID 7296014
cis-(1S,2S)-2-butylcyclopropan-1-ol
CID 14453674
cis-(1R,2R)-2-butylcyclopropan-1-ol
CID 14453673
10-[(1R,2S)-2-hexylcyclopropyl]decanamide
CID 90478669
ethyl 2-nonyl-4,6-dioxocyclohexane-1-carboxylate
CID 71394059
1,3-diamino-1-(2-butylcyclohexyl)urea
CID 174858599
cis-(1R,2R)-N-benzyl-2-octylcyclopropane-1-carboxamide
CID 98220206

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-6-pentylcyclohex-2-ene-1-carbohydrazide?
The IUPAC name of 4-hydroxy-2-methyl-6-pentylcyclohex-2-ene-1-carbohydrazide (CID 3923259) is 4-hydroxy-2-methyl-6-pentylcyclohex-2-ene-1-carbohydrazide.
What is the SMILES notation for 4-hydroxy-2-methyl-6-pentylcyclohex-2-ene-1-carbohydrazide?
The canonical SMILES for 4-hydroxy-2-methyl-6-pentylcyclohex-2-ene-1-carbohydrazide is CCCCCC1CC(O)C=C(C)C1C(=O)NN.
What is the InChIKey of 4-hydroxy-2-methyl-6-pentylcyclohex-2-ene-1-carbohydrazide?
The InChIKey is PPCFHJICCBNMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-4-5-6-10-8-11(16)7-9(2)12(10)13(17)15-14/h7,10-12,16H,3-6,8,14H2,1-2H3,(H,15,17).
What are the key properties of 4-hydroxy-2-methyl-6-pentylcyclohex-2-ene-1-carbohydrazide?
4-hydroxy-2-methyl-6-pentylcyclohex-2-ene-1-carbohydrazide has a molecular weight of 240.35 g/mol, XLogP of 1.50, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-6-pentylcyclohex-2-ene-1-carbohydrazide is sourced from PubChem (CID 3923259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).