(2S)-1-cyclohex-2-en-1-ylpyrrolidine-2-carbohydrazide

C11H19N3O — CID 139247448

IUPAC(2S)-1-cyclohex-2-en-1-ylpyrrolidine-2-carbohydrazide
SMILESNNC(=O)[C@@H]1CCCN1C1C=CCCC1
InChIInChI=1S/C11H19N3O/c12-13-11(15)10-7-4-8-14(10)9-5-2-1-3-6-9/h2,5,9-10H,1,3-4,6-8,12H2,(H,13,15)/t9?,10-/m0/s1
InChIKeyZWSFRASHEIBACN-AXDSSHIGSA-N
MW209.29 g/mol
LogP0.55
Rot. Bonds2

About (2S)-1-cyclohex-2-en-1-ylpyrrolidine-2-carbohydrazide

(2S)-1-cyclohex-2-en-1-ylpyrrolidine-2-carbohydrazide (PubChem CID 139247448) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is (2S)-1-cyclohex-2-en-1-ylpyrrolidine-2-carbohydrazide.

Molecular Properties

Compound Name(2S)-1-cyclohex-2-en-1-ylpyrrolidine-2-carbohydrazide
PubChem CID139247448
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name(2S)-1-cyclohex-2-en-1-ylpyrrolidine-2-carbohydrazide
SMILESNNC(=O)[C@@H]1CCCN1C1C=CCCC1
InChIInChI=1S/C11H19N3O/c12-13-11(15)10-7-4-8-14(10)9-5-2-1-3-6-9/h2,5,9-10H,1,3-4,6-8,12H2,(H,13,15)/t9?,10-/m0/s1
InChIKeyZWSFRASHEIBACN-AXDSSHIGSA-N
XLogP0.55
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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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Frequently Asked Questions

What is the IUPAC name of (2S)-1-cyclohex-2-en-1-ylpyrrolidine-2-carbohydrazide?
The IUPAC name of (2S)-1-cyclohex-2-en-1-ylpyrrolidine-2-carbohydrazide (CID 139247448) is (2S)-1-cyclohex-2-en-1-ylpyrrolidine-2-carbohydrazide.
What is the SMILES notation for (2S)-1-cyclohex-2-en-1-ylpyrrolidine-2-carbohydrazide?
The canonical SMILES for (2S)-1-cyclohex-2-en-1-ylpyrrolidine-2-carbohydrazide is NNC(=O)[C@@H]1CCCN1C1C=CCCC1.
What is the InChIKey of (2S)-1-cyclohex-2-en-1-ylpyrrolidine-2-carbohydrazide?
The InChIKey is ZWSFRASHEIBACN-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H19N3O/c12-13-11(15)10-7-4-8-14(10)9-5-2-1-3-6-9/h2,5,9-10H,1,3-4,6-8,12H2,(H,13,15)/t9?,10-/m0/s1.
What are the key properties of (2S)-1-cyclohex-2-en-1-ylpyrrolidine-2-carbohydrazide?
(2S)-1-cyclohex-2-en-1-ylpyrrolidine-2-carbohydrazide has a molecular weight of 209.29 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-cyclohex-2-en-1-ylpyrrolidine-2-carbohydrazide is sourced from PubChem (CID 139247448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).