3-(ethylamino)-1-(2-methylprop-2-enyl)pyrrolidin-2-one

C10H18N2O — CID 114617326

IUPAC3-(ethylamino)-1-(2-methylprop-2-enyl)pyrrolidin-2-one
SMILESC=C(C)CN1CCC(NCC)C1=O
InChIInChI=1S/C10H18N2O/c1-4-11-9-5-6-12(10(9)13)7-8(2)3/h9,11H,2,4-7H2,1,3H3
InChIKeyJIGMLLKHSHSZKY-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.77
Rot. Bonds4

About 3-(ethylamino)-1-(2-methylprop-2-enyl)pyrrolidin-2-one

3-(ethylamino)-1-(2-methylprop-2-enyl)pyrrolidin-2-one (PubChem CID 114617326) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-(ethylamino)-1-(2-methylprop-2-enyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(ethylamino)-1-(2-methylprop-2-enyl)pyrrolidin-2-one
PubChem CID114617326
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3-(ethylamino)-1-(2-methylprop-2-enyl)pyrrolidin-2-one
SMILESC=C(C)CN1CCC(NCC)C1=O
InChIInChI=1S/C10H18N2O/c1-4-11-9-5-6-12(10(9)13)7-8(2)3/h9,11H,2,4-7H2,1,3H3
InChIKeyJIGMLLKHSHSZKY-UHFFFAOYSA-N
XLogP0.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.77
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-(ethylamino)-1-(3-hydroxy-2,2-dimethylpropyl)pyrrolidin-2-one
CID 115366236
3-(ethylamino)-1-(2-methylsulfanylethyl)pyrrolidin-2-one
CID 63965198
3-bromo-1-(2-methylprop-2-enyl)piperidin-2-one
CID 114619151
3-(ethylamino)-1-(3-propoxypropyl)pyrrolidin-2-one
CID 82943080
3-(ethylamino)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-one
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3-(ethylamino)-1-[(3-hydroxycyclohexyl)methyl]pyrrolidin-2-one
CID 114148602
3-(ethylamino)-1-(2-thiomorpholin-4-ylethyl)pyrrolidin-2-one
CID 114173849
3-(ethylamino)-1-[(1-hydroxy-3-methylcyclohexyl)methyl]pyrrolidin-2-one
CID 65119516
3-(ethylamino)-1-(2-phenylpropyl)pyrrolidin-2-one
CID 104591603
3-(ethylamino)-1-[(4-methylmorpholin-2-yl)methyl]pyrrolidin-2-one
CID 79071630
3-(ethylamino)-1-(2-hydroxy-2-methylbutyl)piperidin-2-one
CID 65112678
3-(ethylamino)-1-[(1-hydroxycycloheptyl)methyl]piperidin-2-one
CID 65122174

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-1-(2-methylprop-2-enyl)pyrrolidin-2-one?
The IUPAC name of 3-(ethylamino)-1-(2-methylprop-2-enyl)pyrrolidin-2-one (CID 114617326) is 3-(ethylamino)-1-(2-methylprop-2-enyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(ethylamino)-1-(2-methylprop-2-enyl)pyrrolidin-2-one?
The canonical SMILES for 3-(ethylamino)-1-(2-methylprop-2-enyl)pyrrolidin-2-one is C=C(C)CN1CCC(NCC)C1=O.
What is the InChIKey of 3-(ethylamino)-1-(2-methylprop-2-enyl)pyrrolidin-2-one?
The InChIKey is JIGMLLKHSHSZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-4-11-9-5-6-12(10(9)13)7-8(2)3/h9,11H,2,4-7H2,1,3H3.
What are the key properties of 3-(ethylamino)-1-(2-methylprop-2-enyl)pyrrolidin-2-one?
3-(ethylamino)-1-(2-methylprop-2-enyl)pyrrolidin-2-one has a molecular weight of 182.27 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-1-(2-methylprop-2-enyl)pyrrolidin-2-one is sourced from PubChem (CID 114617326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).