2-[3-(2-methylpropyl)-2-oxo-3-prop-1-en-2-ylpyrrolidin-1-yl]propanamide

C14H24N2O2 — CID 57059453

IUPAC2-[3-(2-methylpropyl)-2-oxo-3-prop-1-en-2-ylpyrrolidin-1-yl]propanamide
SMILESC=C(C)C1(CC(C)C)CCN(C(C)C(N)=O)C1=O
InChIInChI=1S/C14H24N2O2/c1-9(2)8-14(10(3)4)6-7-16(13(14)18)11(5)12(15)17/h9,11H,3,6-8H2,1-2,4-5H3,(H2,15,17)
InChIKeySPXRYWZSGHXLDN-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.70
Rot. Bonds5

About 2-[3-(2-methylpropyl)-2-oxo-3-prop-1-en-2-ylpyrrolidin-1-yl]propanamide

2-[3-(2-methylpropyl)-2-oxo-3-prop-1-en-2-ylpyrrolidin-1-yl]propanamide (PubChem CID 57059453) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[3-(2-methylpropyl)-2-oxo-3-prop-1-en-2-ylpyrrolidin-1-yl]propanamide.

Molecular Properties

Compound Name2-[3-(2-methylpropyl)-2-oxo-3-prop-1-en-2-ylpyrrolidin-1-yl]propanamide
PubChem CID57059453
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-[3-(2-methylpropyl)-2-oxo-3-prop-1-en-2-ylpyrrolidin-1-yl]propanamide
SMILESC=C(C)C1(CC(C)C)CCN(C(C)C(N)=O)C1=O
InChIInChI=1S/C14H24N2O2/c1-9(2)8-14(10(3)4)6-7-16(13(14)18)11(5)12(15)17/h9,11H,3,6-8H2,1-2,4-5H3,(H2,15,17)
InChIKeySPXRYWZSGHXLDN-UHFFFAOYSA-N
XLogP1.70
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.70
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 2-[3-(2-methylpropyl)-2-oxo-3-prop-1-en-2-ylpyrrolidin-1-yl]propanamide?
The IUPAC name of 2-[3-(2-methylpropyl)-2-oxo-3-prop-1-en-2-ylpyrrolidin-1-yl]propanamide (CID 57059453) is 2-[3-(2-methylpropyl)-2-oxo-3-prop-1-en-2-ylpyrrolidin-1-yl]propanamide.
What is the SMILES notation for 2-[3-(2-methylpropyl)-2-oxo-3-prop-1-en-2-ylpyrrolidin-1-yl]propanamide?
The canonical SMILES for 2-[3-(2-methylpropyl)-2-oxo-3-prop-1-en-2-ylpyrrolidin-1-yl]propanamide is C=C(C)C1(CC(C)C)CCN(C(C)C(N)=O)C1=O.
What is the InChIKey of 2-[3-(2-methylpropyl)-2-oxo-3-prop-1-en-2-ylpyrrolidin-1-yl]propanamide?
The InChIKey is SPXRYWZSGHXLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-9(2)8-14(10(3)4)6-7-16(13(14)18)11(5)12(15)17/h9,11H,3,6-8H2,1-2,4-5H3,(H2,15,17).
What are the key properties of 2-[3-(2-methylpropyl)-2-oxo-3-prop-1-en-2-ylpyrrolidin-1-yl]propanamide?
2-[3-(2-methylpropyl)-2-oxo-3-prop-1-en-2-ylpyrrolidin-1-yl]propanamide has a molecular weight of 252.36 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylpropyl)-2-oxo-3-prop-1-en-2-ylpyrrolidin-1-yl]propanamide is sourced from PubChem (CID 57059453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).