2-(3-methylbut-2-enylamino)-1-pyrrolidin-1-ylpropan-1-one

C12H22N2O — CID 103520472

IUPAC2-(3-methylbut-2-enylamino)-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)=CCNC(C)C(=O)N1CCCC1
InChIInChI=1S/C12H22N2O/c1-10(2)6-7-13-11(3)12(15)14-8-4-5-9-14/h6,11,13H,4-5,7-9H2,1-3H3
InChIKeyUOWLBOZYPIWKQY-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.55
Rot. Bonds4

About 2-(3-methylbut-2-enylamino)-1-pyrrolidin-1-ylpropan-1-one

2-(3-methylbut-2-enylamino)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 103520472) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(3-methylbut-2-enylamino)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(3-methylbut-2-enylamino)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID103520472
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-(3-methylbut-2-enylamino)-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)=CCNC(C)C(=O)N1CCCC1
InChIInChI=1S/C12H22N2O/c1-10(2)6-7-13-11(3)12(15)14-8-4-5-9-14/h6,11,13H,4-5,7-9H2,1-3H3
InChIKeyUOWLBOZYPIWKQY-UHFFFAOYSA-N
XLogP1.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-methylbut-2-enylamino)-1-pyrrolidin-1-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbut-2-enylamino)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-(3-methylbut-2-enylamino)-1-pyrrolidin-1-ylpropan-1-one (CID 103520472) is 2-(3-methylbut-2-enylamino)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(3-methylbut-2-enylamino)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-(3-methylbut-2-enylamino)-1-pyrrolidin-1-ylpropan-1-one is CC(C)=CCNC(C)C(=O)N1CCCC1.
What is the InChIKey of 2-(3-methylbut-2-enylamino)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is UOWLBOZYPIWKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-10(2)6-7-13-11(3)12(15)14-8-4-5-9-14/h6,11,13H,4-5,7-9H2,1-3H3.
What are the key properties of 2-(3-methylbut-2-enylamino)-1-pyrrolidin-1-ylpropan-1-one?
2-(3-methylbut-2-enylamino)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 210.32 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbut-2-enylamino)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 103520472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).