1-(2-ethenyliminobut-3-enyl)-4-methylpyrrolidin-2-one

C11H16N2O — CID 170582867

IUPAC1-(2-ethenyliminobut-3-enyl)-4-methylpyrrolidin-2-one
SMILESC=C/N=C(\C=C)CN1CC(C)CC1=O
InChIInChI=1S/C11H16N2O/c1-4-10(12-5-2)8-13-7-9(3)6-11(13)14/h4-5,9H,1-2,6-8H2,3H3/b12-10+
InChIKeyDCVNSBSRRTXFJD-ZRDIBKRKSA-N
MW192.26 g/mol
LogP1.63
Rot. Bonds4

About 1-(2-ethenyliminobut-3-enyl)-4-methylpyrrolidin-2-one

1-(2-ethenyliminobut-3-enyl)-4-methylpyrrolidin-2-one (PubChem CID 170582867) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-(2-ethenyliminobut-3-enyl)-4-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-ethenyliminobut-3-enyl)-4-methylpyrrolidin-2-one
PubChem CID170582867
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-(2-ethenyliminobut-3-enyl)-4-methylpyrrolidin-2-one
SMILESC=C/N=C(\C=C)CN1CC(C)CC1=O
InChIInChI=1S/C11H16N2O/c1-4-10(12-5-2)8-13-7-9(3)6-11(13)14/h4-5,9H,1-2,6-8H2,3H3/b12-10+
InChIKeyDCVNSBSRRTXFJD-ZRDIBKRKSA-N
XLogP1.63
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-amino-2-methylimino-1-(3-methylpyrrolidin-1-yl)but-3-en-1-one;ethane
CID 177054105
N-(1-hydroxy-4-pyridinylidene)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
CID 154769738
(Z)-4-amino-2-methylimino-1-(3-methylpyrrolidin-1-yl)but-3-en-1-one
CID 177054106

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenyliminobut-3-enyl)-4-methylpyrrolidin-2-one?
The IUPAC name of 1-(2-ethenyliminobut-3-enyl)-4-methylpyrrolidin-2-one (CID 170582867) is 1-(2-ethenyliminobut-3-enyl)-4-methylpyrrolidin-2-one.
What is the SMILES notation for 1-(2-ethenyliminobut-3-enyl)-4-methylpyrrolidin-2-one?
The canonical SMILES for 1-(2-ethenyliminobut-3-enyl)-4-methylpyrrolidin-2-one is C=C/N=C(\C=C)CN1CC(C)CC1=O.
What is the InChIKey of 1-(2-ethenyliminobut-3-enyl)-4-methylpyrrolidin-2-one?
The InChIKey is DCVNSBSRRTXFJD-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H16N2O/c1-4-10(12-5-2)8-13-7-9(3)6-11(13)14/h4-5,9H,1-2,6-8H2,3H3/b12-10+.
What are the key properties of 1-(2-ethenyliminobut-3-enyl)-4-methylpyrrolidin-2-one?
1-(2-ethenyliminobut-3-enyl)-4-methylpyrrolidin-2-one has a molecular weight of 192.26 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenyliminobut-3-enyl)-4-methylpyrrolidin-2-one is sourced from PubChem (CID 170582867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).