N'-(1-butanoylpyrrolidin-3-yl)ethanimidamide

C10H19N3O — CID 54570963

IUPACN'-(1-butanoylpyrrolidin-3-yl)ethanimidamide
SMILESCCCC(=O)N1CCC(/N=C(\C)N)C1
InChIInChI=1S/C10H19N3O/c1-3-4-10(14)13-6-5-9(7-13)12-8(2)11/h9H,3-7H2,1-2H3,(H2,11,12)
InChIKeyZXFKXYGEMKBSFC-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.76
Rot. Bonds3

About N'-(1-butanoylpyrrolidin-3-yl)ethanimidamide

N'-(1-butanoylpyrrolidin-3-yl)ethanimidamide (PubChem CID 54570963) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N'-(1-butanoylpyrrolidin-3-yl)ethanimidamide.

Molecular Properties

Compound NameN'-(1-butanoylpyrrolidin-3-yl)ethanimidamide
PubChem CID54570963
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN'-(1-butanoylpyrrolidin-3-yl)ethanimidamide
SMILESCCCC(=O)N1CCC(/N=C(\C)N)C1
InChIInChI=1S/C10H19N3O/c1-3-4-10(14)13-6-5-9(7-13)12-8(2)11/h9H,3-7H2,1-2H3,(H2,11,12)
InChIKeyZXFKXYGEMKBSFC-UHFFFAOYSA-N
XLogP0.76
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(1-butanoylpyrrolidin-3-yl)ethanimidamide?
The IUPAC name of N'-(1-butanoylpyrrolidin-3-yl)ethanimidamide (CID 54570963) is N'-(1-butanoylpyrrolidin-3-yl)ethanimidamide.
What is the SMILES notation for N'-(1-butanoylpyrrolidin-3-yl)ethanimidamide?
The canonical SMILES for N'-(1-butanoylpyrrolidin-3-yl)ethanimidamide is CCCC(=O)N1CCC(/N=C(\C)N)C1.
What is the InChIKey of N'-(1-butanoylpyrrolidin-3-yl)ethanimidamide?
The InChIKey is ZXFKXYGEMKBSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-3-4-10(14)13-6-5-9(7-13)12-8(2)11/h9H,3-7H2,1-2H3,(H2,11,12).
What are the key properties of N'-(1-butanoylpyrrolidin-3-yl)ethanimidamide?
N'-(1-butanoylpyrrolidin-3-yl)ethanimidamide has a molecular weight of 197.28 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-butanoylpyrrolidin-3-yl)ethanimidamide is sourced from PubChem (CID 54570963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).