3-[[(E)-but-2-enyl]amino]-1-methylpyrrolidin-2-one

C9H16N2O — CID 106256623

IUPAC3-[[(E)-but-2-enyl]amino]-1-methylpyrrolidin-2-one
SMILESC/C=C/CNC1CCN(C)C1=O
InChIInChI=1S/C9H16N2O/c1-3-4-6-10-8-5-7-11(2)9(8)12/h3-4,8,10H,5-7H2,1-2H3/b4-3+
InChIKeyLGUJGUOCUMXPMK-ONEGZZNKSA-N
MW168.24 g/mol
LogP0.38
Rot. Bonds3

About 3-[[(E)-but-2-enyl]amino]-1-methylpyrrolidin-2-one

3-[[(E)-but-2-enyl]amino]-1-methylpyrrolidin-2-one (PubChem CID 106256623) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-[[(E)-but-2-enyl]amino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[[(E)-but-2-enyl]amino]-1-methylpyrrolidin-2-one
PubChem CID106256623
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name3-[[(E)-but-2-enyl]amino]-1-methylpyrrolidin-2-one
SMILESC/C=C/CNC1CCN(C)C1=O
InChIInChI=1S/C9H16N2O/c1-3-4-6-10-8-5-7-11(2)9(8)12/h3-4,8,10H,5-7H2,1-2H3/b4-3+
InChIKeyLGUJGUOCUMXPMK-ONEGZZNKSA-N
XLogP0.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]-1-methylpyrrolidin-2-one
CID 115866059
(3S)-1-methyl-3-(methylamino)pyrrolidin-2-one
CID 94236128
5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pentanamide
CID 106237309
3-[(4-hydroxycyclohexyl)methylamino]-1-methylpyrrolidin-2-one
CID 106133454
1-methyl-3-(2-methylidenebutylamino)pyrrolidin-2-one
CID 106256749
3-(6-hydroxyhexylamino)-1-methylpyrrolidin-2-one
CID 107851756
1-methyl-3-(piperidin-2-ylmethylamino)pyrrolidin-2-one
CID 106252871
1-methyl-3-[(3-methylcyclopentyl)methylamino]pyrrolidin-2-one
CID 107412677
2-methyl-3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]propanenitrile
CID 106256838
3-(2-but-3-enoxyethylamino)-1-methylpyrrolidin-2-one
CID 103852843
5-hydroxy-N-(1-methyl-2-oxopyrrolidin-3-yl)pentanamide
CID 106259293
1-methyl-3-(3-propoxypropylamino)pyrrolidin-2-one
CID 82944318

Frequently Asked Questions

What is the IUPAC name of 3-[[(E)-but-2-enyl]amino]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[[(E)-but-2-enyl]amino]-1-methylpyrrolidin-2-one (CID 106256623) is 3-[[(E)-but-2-enyl]amino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[[(E)-but-2-enyl]amino]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[[(E)-but-2-enyl]amino]-1-methylpyrrolidin-2-one is C/C=C/CNC1CCN(C)C1=O.
What is the InChIKey of 3-[[(E)-but-2-enyl]amino]-1-methylpyrrolidin-2-one?
The InChIKey is LGUJGUOCUMXPMK-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-4-6-10-8-5-7-11(2)9(8)12/h3-4,8,10H,5-7H2,1-2H3/b4-3+.
What are the key properties of 3-[[(E)-but-2-enyl]amino]-1-methylpyrrolidin-2-one?
3-[[(E)-but-2-enyl]amino]-1-methylpyrrolidin-2-one has a molecular weight of 168.24 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(E)-but-2-enyl]amino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 106256623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).