N-[(E)-but-2-enyl]-2,5-dimethylpyrazolidine-3-carboxamide

C10H19N3O — CID 178011309

IUPACN-[(E)-but-2-enyl]-2,5-dimethylpyrazolidine-3-carboxamide
SMILESC/C=C/CNC(=O)C1CC(C)NN1C
InChIInChI=1S/C10H19N3O/c1-4-5-6-11-10(14)9-7-8(2)12-13(9)3/h4-5,8-9,12H,6-7H2,1-3H3,(H,11,14)/b5-4+
InChIKeyWKRCJAMQHROLAU-SNAWJCMRSA-N
MW197.28 g/mol
LogP0.28
Rot. Bonds3

About N-[(E)-but-2-enyl]-2,5-dimethylpyrazolidine-3-carboxamide

N-[(E)-but-2-enyl]-2,5-dimethylpyrazolidine-3-carboxamide (PubChem CID 178011309) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-2,5-dimethylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-2,5-dimethylpyrazolidine-3-carboxamide
PubChem CID178011309
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN-[(E)-but-2-enyl]-2,5-dimethylpyrazolidine-3-carboxamide
SMILESC/C=C/CNC(=O)C1CC(C)NN1C
InChIInChI=1S/C10H19N3O/c1-4-5-6-11-10(14)9-7-8(2)12-13(9)3/h4-5,8-9,12H,6-7H2,1-3H3,(H,11,14)/b5-4+
InChIKeyWKRCJAMQHROLAU-SNAWJCMRSA-N
XLogP0.28
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-2,5-dimethylpyrazolidine-3-carboxamide?
The IUPAC name of N-[(E)-but-2-enyl]-2,5-dimethylpyrazolidine-3-carboxamide (CID 178011309) is N-[(E)-but-2-enyl]-2,5-dimethylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-[(E)-but-2-enyl]-2,5-dimethylpyrazolidine-3-carboxamide?
The canonical SMILES for N-[(E)-but-2-enyl]-2,5-dimethylpyrazolidine-3-carboxamide is C/C=C/CNC(=O)C1CC(C)NN1C.
What is the InChIKey of N-[(E)-but-2-enyl]-2,5-dimethylpyrazolidine-3-carboxamide?
The InChIKey is WKRCJAMQHROLAU-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H19N3O/c1-4-5-6-11-10(14)9-7-8(2)12-13(9)3/h4-5,8-9,12H,6-7H2,1-3H3,(H,11,14)/b5-4+.
What are the key properties of N-[(E)-but-2-enyl]-2,5-dimethylpyrazolidine-3-carboxamide?
N-[(E)-but-2-enyl]-2,5-dimethylpyrazolidine-3-carboxamide has a molecular weight of 197.28 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-2,5-dimethylpyrazolidine-3-carboxamide is sourced from PubChem (CID 178011309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).