3-[methyl(3-methylbut-2-enyl)amino]pyrrolidin-2-one

C10H18N2O — CID 130694422

IUPAC3-[methyl(3-methylbut-2-enyl)amino]pyrrolidin-2-one
SMILESCC(C)=CCN(C)C1CCNC1=O
InChIInChI=1S/C10H18N2O/c1-8(2)5-7-12(3)9-4-6-11-10(9)13/h5,9H,4,6-7H2,1-3H3,(H,11,13)
InChIKeyAFMJQODYTBRLLK-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.77
Rot. Bonds3

About 3-[methyl(3-methylbut-2-enyl)amino]pyrrolidin-2-one

3-[methyl(3-methylbut-2-enyl)amino]pyrrolidin-2-one (PubChem CID 130694422) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-[methyl(3-methylbut-2-enyl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[methyl(3-methylbut-2-enyl)amino]pyrrolidin-2-one
PubChem CID130694422
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3-[methyl(3-methylbut-2-enyl)amino]pyrrolidin-2-one
SMILESCC(C)=CCN(C)C1CCNC1=O
InChIInChI=1S/C10H18N2O/c1-8(2)5-7-12(3)9-4-6-11-10(9)13/h5,9H,4,6-7H2,1-3H3,(H,11,13)
InChIKeyAFMJQODYTBRLLK-UHFFFAOYSA-N
XLogP0.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(3-methylbut-2-enyl)amino]pyrrolidin-2-one?
The IUPAC name of 3-[methyl(3-methylbut-2-enyl)amino]pyrrolidin-2-one (CID 130694422) is 3-[methyl(3-methylbut-2-enyl)amino]pyrrolidin-2-one.
What is the SMILES notation for 3-[methyl(3-methylbut-2-enyl)amino]pyrrolidin-2-one?
The canonical SMILES for 3-[methyl(3-methylbut-2-enyl)amino]pyrrolidin-2-one is CC(C)=CCN(C)C1CCNC1=O.
What is the InChIKey of 3-[methyl(3-methylbut-2-enyl)amino]pyrrolidin-2-one?
The InChIKey is AFMJQODYTBRLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-8(2)5-7-12(3)9-4-6-11-10(9)13/h5,9H,4,6-7H2,1-3H3,(H,11,13).
What are the key properties of 3-[methyl(3-methylbut-2-enyl)amino]pyrrolidin-2-one?
3-[methyl(3-methylbut-2-enyl)amino]pyrrolidin-2-one has a molecular weight of 182.27 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(3-methylbut-2-enyl)amino]pyrrolidin-2-one is sourced from PubChem (CID 130694422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).