1-[2-(aminomethyl)prop-2-enyl]-3,4,5-trimethylpyrrolidin-2-one

C11H20N2O — CID 131198115

IUPAC1-[2-(aminomethyl)prop-2-enyl]-3,4,5-trimethylpyrrolidin-2-one
SMILESC=C(CN)CN1C(=O)C(C)C(C)C1C
InChIInChI=1S/C11H20N2O/c1-7(5-12)6-13-10(4)8(2)9(3)11(13)14/h8-10H,1,5-6,12H2,2-4H3
InChIKeyJPPBIMMQDGGYRY-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.00
Rot. Bonds3

About 1-[2-(aminomethyl)prop-2-enyl]-3,4,5-trimethylpyrrolidin-2-one

1-[2-(aminomethyl)prop-2-enyl]-3,4,5-trimethylpyrrolidin-2-one (PubChem CID 131198115) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-[2-(aminomethyl)prop-2-enyl]-3,4,5-trimethylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)prop-2-enyl]-3,4,5-trimethylpyrrolidin-2-one
PubChem CID131198115
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-[2-(aminomethyl)prop-2-enyl]-3,4,5-trimethylpyrrolidin-2-one
SMILESC=C(CN)CN1C(=O)C(C)C(C)C1C
InChIInChI=1S/C11H20N2O/c1-7(5-12)6-13-10(4)8(2)9(3)11(13)14/h8-10H,1,5-6,12H2,2-4H3
InChIKeyJPPBIMMQDGGYRY-UHFFFAOYSA-N
XLogP1.00
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.00
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

1-(2-aminobutyl)-3,4,5-trimethylpyrrolidin-2-one
CID 131097871
1-[2-(aminomethyl)prop-2-enyl]-3-methylpiperidin-2-one
CID 103073008
1-(3-chloro-2-hydroxypropyl)-3,4,5-trimethylpyrrolidin-2-one
CID 130899092
1-(3-bromo-2-hydroxypropyl)-3,4,5-trimethylpyrrolidin-2-one
CID 130941367
3-[2-(aminomethyl)prop-2-enyl]-5-propylimidazolidine-2,4-dione
CID 103071713
2-[2-(aminomethyl)prop-2-enyl]-4-methyl-1,2,4-triazol-3-one
CID 103072853
1,4-diethyl-3-methylazetidin-2-one
CID 123697315
1-(bromomethylsulfonyl)-3,4,5-trimethylpyrrolidin-2-one
CID 131223544
5-methyl-2-[2-(sulfanylmethyl)prop-2-enyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 103074108
1-[2-(ethylaminomethyl)prop-2-enyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 103072675
2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]prop-2-en-1-amine
CID 103071163
2-[2-(aminomethyl)prop-2-enyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 103071139

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)prop-2-enyl]-3,4,5-trimethylpyrrolidin-2-one?
The IUPAC name of 1-[2-(aminomethyl)prop-2-enyl]-3,4,5-trimethylpyrrolidin-2-one (CID 131198115) is 1-[2-(aminomethyl)prop-2-enyl]-3,4,5-trimethylpyrrolidin-2-one.
What is the SMILES notation for 1-[2-(aminomethyl)prop-2-enyl]-3,4,5-trimethylpyrrolidin-2-one?
The canonical SMILES for 1-[2-(aminomethyl)prop-2-enyl]-3,4,5-trimethylpyrrolidin-2-one is C=C(CN)CN1C(=O)C(C)C(C)C1C.
What is the InChIKey of 1-[2-(aminomethyl)prop-2-enyl]-3,4,5-trimethylpyrrolidin-2-one?
The InChIKey is JPPBIMMQDGGYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-7(5-12)6-13-10(4)8(2)9(3)11(13)14/h8-10H,1,5-6,12H2,2-4H3.
What are the key properties of 1-[2-(aminomethyl)prop-2-enyl]-3,4,5-trimethylpyrrolidin-2-one?
1-[2-(aminomethyl)prop-2-enyl]-3,4,5-trimethylpyrrolidin-2-one has a molecular weight of 196.29 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)prop-2-enyl]-3,4,5-trimethylpyrrolidin-2-one is sourced from PubChem (CID 131198115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).