3-amino-1-(3-prop-1-en-2-yliminoprop-1-en-2-yl)piperidin-2-one

C11H17N3O — CID 134406349

IUPAC3-amino-1-(3-prop-1-en-2-yliminoprop-1-en-2-yl)piperidin-2-one
SMILESC=C(C)/N=C/C(=C)N1CCCC(N)C1=O
InChIInChI=1S/C11H17N3O/c1-8(2)13-7-9(3)14-6-4-5-10(12)11(14)15/h7,10H,1,3-6,12H2,2H3/b13-7+
InChIKeyJEAYCIJOXROKLX-NTUHNPAUSA-N
MW207.28 g/mol
LogP1.05
Rot. Bonds3

About 3-amino-1-(3-prop-1-en-2-yliminoprop-1-en-2-yl)piperidin-2-one

3-amino-1-(3-prop-1-en-2-yliminoprop-1-en-2-yl)piperidin-2-one (PubChem CID 134406349) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-amino-1-(3-prop-1-en-2-yliminoprop-1-en-2-yl)piperidin-2-one.

Molecular Properties

Compound Name3-amino-1-(3-prop-1-en-2-yliminoprop-1-en-2-yl)piperidin-2-one
PubChem CID134406349
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-amino-1-(3-prop-1-en-2-yliminoprop-1-en-2-yl)piperidin-2-one
SMILESC=C(C)/N=C/C(=C)N1CCCC(N)C1=O
InChIInChI=1S/C11H17N3O/c1-8(2)13-7-9(3)14-6-4-5-10(12)11(14)15/h7,10H,1,3-6,12H2,2H3/b13-7+
InChIKeyJEAYCIJOXROKLX-NTUHNPAUSA-N
XLogP1.05
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-prop-1-en-2-yliminoprop-1-en-2-yl)piperidin-2-one?
The IUPAC name of 3-amino-1-(3-prop-1-en-2-yliminoprop-1-en-2-yl)piperidin-2-one (CID 134406349) is 3-amino-1-(3-prop-1-en-2-yliminoprop-1-en-2-yl)piperidin-2-one.
What is the SMILES notation for 3-amino-1-(3-prop-1-en-2-yliminoprop-1-en-2-yl)piperidin-2-one?
The canonical SMILES for 3-amino-1-(3-prop-1-en-2-yliminoprop-1-en-2-yl)piperidin-2-one is C=C(C)/N=C/C(=C)N1CCCC(N)C1=O.
What is the InChIKey of 3-amino-1-(3-prop-1-en-2-yliminoprop-1-en-2-yl)piperidin-2-one?
The InChIKey is JEAYCIJOXROKLX-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8(2)13-7-9(3)14-6-4-5-10(12)11(14)15/h7,10H,1,3-6,12H2,2H3/b13-7+.
What are the key properties of 3-amino-1-(3-prop-1-en-2-yliminoprop-1-en-2-yl)piperidin-2-one?
3-amino-1-(3-prop-1-en-2-yliminoprop-1-en-2-yl)piperidin-2-one has a molecular weight of 207.28 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-prop-1-en-2-yliminoprop-1-en-2-yl)piperidin-2-one is sourced from PubChem (CID 134406349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).