(Z)-4-amino-2-methylimino-1-(3-methylpyrrolidin-1-yl)but-3-en-1-one

C10H17N3O — CID 177054106

IUPAC(Z)-4-amino-2-methylimino-1-(3-methylpyrrolidin-1-yl)but-3-en-1-one
SMILESC/N=C(/C=C\N)C(=O)N1CCC(C)C1
InChIInChI=1S/C10H17N3O/c1-8-4-6-13(7-8)10(14)9(12-2)3-5-11/h3,5,8H,4,6-7,11H2,1-2H3/b5-3-,12-9-
InChIKeyPCAPIOABTRHOAO-WHFGVELXSA-N
MW195.27 g/mol
LogP0.40
Rot. Bonds2

About (Z)-4-amino-2-methylimino-1-(3-methylpyrrolidin-1-yl)but-3-en-1-one

(Z)-4-amino-2-methylimino-1-(3-methylpyrrolidin-1-yl)but-3-en-1-one (PubChem CID 177054106) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is (Z)-4-amino-2-methylimino-1-(3-methylpyrrolidin-1-yl)but-3-en-1-one.

Molecular Properties

Compound Name(Z)-4-amino-2-methylimino-1-(3-methylpyrrolidin-1-yl)but-3-en-1-one
PubChem CID177054106
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name(Z)-4-amino-2-methylimino-1-(3-methylpyrrolidin-1-yl)but-3-en-1-one
SMILESC/N=C(/C=C\N)C(=O)N1CCC(C)C1
InChIInChI=1S/C10H17N3O/c1-8-4-6-13(7-8)10(14)9(12-2)3-5-11/h3,5,8H,4,6-7,11H2,1-2H3/b5-3-,12-9-
InChIKeyPCAPIOABTRHOAO-WHFGVELXSA-N
XLogP0.40
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-4-amino-2-methylimino-1-(3-methylpyrrolidin-1-yl)but-3-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-4-amino-2-methylimino-1-(3-methylpyrrolidin-1-yl)but-3-en-1-one?
The IUPAC name of (Z)-4-amino-2-methylimino-1-(3-methylpyrrolidin-1-yl)but-3-en-1-one (CID 177054106) is (Z)-4-amino-2-methylimino-1-(3-methylpyrrolidin-1-yl)but-3-en-1-one.
What is the SMILES notation for (Z)-4-amino-2-methylimino-1-(3-methylpyrrolidin-1-yl)but-3-en-1-one?
The canonical SMILES for (Z)-4-amino-2-methylimino-1-(3-methylpyrrolidin-1-yl)but-3-en-1-one is C/N=C(/C=C\N)C(=O)N1CCC(C)C1.
What is the InChIKey of (Z)-4-amino-2-methylimino-1-(3-methylpyrrolidin-1-yl)but-3-en-1-one?
The InChIKey is PCAPIOABTRHOAO-WHFGVELXSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8-4-6-13(7-8)10(14)9(12-2)3-5-11/h3,5,8H,4,6-7,11H2,1-2H3/b5-3-,12-9-.
What are the key properties of (Z)-4-amino-2-methylimino-1-(3-methylpyrrolidin-1-yl)but-3-en-1-one?
(Z)-4-amino-2-methylimino-1-(3-methylpyrrolidin-1-yl)but-3-en-1-one has a molecular weight of 195.27 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-amino-2-methylimino-1-(3-methylpyrrolidin-1-yl)but-3-en-1-one is sourced from PubChem (CID 177054106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).