(1S)-N'-(cyclopentanecarbonyl)cyclohex-3-ene-1-carbohydrazide

C13H20N2O2 — CID 51983300

IUPAC(1S)-N'-(cyclopentanecarbonyl)cyclohex-3-ene-1-carbohydrazide
SMILESO=C(NNC(=O)[C@@H]1CC=CCC1)C1CCCC1
InChIInChI=1S/C13H20N2O2/c16-12(10-6-2-1-3-7-10)14-15-13(17)11-8-4-5-9-11/h1-2,10-11H,3-9H2,(H,14,16)(H,15,17)/t10-/m1/s1
InChIKeyRFASIOKYWTWQJO-SNVBAGLBSA-N
MW236.31 g/mol
LogP1.68
Rot. Bonds2

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

(1S)-N'-(cyclopentanecarbonyl)cyclohex-3-ene-1-carbohydrazide (PubChem CID 51983300) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is (1S)-N'-(cyclopentanecarbonyl)cyclohex-3-ene-1-carbohydrazide.

Molecular Properties

Compound Name(1S)-N'-(cyclopentanecarbonyl)cyclohex-3-ene-1-carbohydrazide
PubChem CID51983300
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name(1S)-N'-(cyclopentanecarbonyl)cyclohex-3-ene-1-carbohydrazide
SMILESO=C(NNC(=O)[C@@H]1CC=CCC1)C1CCCC1
InChIInChI=1S/C13H20N2O2/c16-12(10-6-2-1-3-7-10)14-15-13(17)11-8-4-5-9-11/h1-2,10-11H,3-9H2,(H,14,16)(H,15,17)/t10-/m1/s1
InChIKeyRFASIOKYWTWQJO-SNVBAGLBSA-N
XLogP1.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.68
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

(1R)-N'-(cyclopentanecarbonyl)cyclohex-3-ene-1-carbohydrazide
CID 51983299
(1S)-N'-(2-phenylacetyl)cyclohex-3-ene-1-carbohydrazide
CID 766579
N'-phenylcyclohex-3-ene-1-carbohydrazide
CID 14323120
N-(trideuteriomethyl)cyclohex-3-ene-1-carboxamide
CID 156676783
N-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]cyclohex-3-ene-1-carboxamide
CID 171577227
(1R)-N-[3-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]-2,2-dimethylpropyl]cyclohex-3-ene-1-carboxamide
CID 95621362
(1S)-N-[(1S,2R)-2-methylcyclohexyl]cyclohex-3-ene-1-carboxamide
CID 100842555
N'-(cyclohex-3-ene-1-carbonyl)-4-methoxybenzohydrazide
CID 2843839
N'-hydroxycyclohexanecarbohydrazide
CID 151692012
(3E,7Z)-cyclodeca-3,7-diene-1-carboxylic acid
CID 177407584
1-[(1R)-cyclohex-3-en-1-yl]ethanone
CID 15562643
(1R)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohex-3-ene-1-carboxamide
CID 27742839

Frequently Asked Questions

What is the IUPAC name of (1S)-N'-(cyclopentanecarbonyl)cyclohex-3-ene-1-carbohydrazide?
The IUPAC name of (1S)-N'-(cyclopentanecarbonyl)cyclohex-3-ene-1-carbohydrazide (CID 51983300) is (1S)-N'-(cyclopentanecarbonyl)cyclohex-3-ene-1-carbohydrazide.
What is the SMILES notation for (1S)-N'-(cyclopentanecarbonyl)cyclohex-3-ene-1-carbohydrazide?
The canonical SMILES for (1S)-N'-(cyclopentanecarbonyl)cyclohex-3-ene-1-carbohydrazide is O=C(NNC(=O)[C@@H]1CC=CCC1)C1CCCC1.
What is the InChIKey of (1S)-N'-(cyclopentanecarbonyl)cyclohex-3-ene-1-carbohydrazide?
The InChIKey is RFASIOKYWTWQJO-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20N2O2/c16-12(10-6-2-1-3-7-10)14-15-13(17)11-8-4-5-9-11/h1-2,10-11H,3-9H2,(H,14,16)(H,15,17)/t10-/m1/s1.
What are the key properties of (1S)-N'-(cyclopentanecarbonyl)cyclohex-3-ene-1-carbohydrazide?
(1S)-N'-(cyclopentanecarbonyl)cyclohex-3-ene-1-carbohydrazide has a molecular weight of 236.31 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N'-(cyclopentanecarbonyl)cyclohex-3-ene-1-carbohydrazide is sourced from PubChem (CID 51983300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).