(3E)-3-(2,5-dioxo-1-prop-2-enylpyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide

C15H22N2O3 — CID 154711264

IUPAC(3E)-3-(2,5-dioxo-1-prop-2-enylpyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide
SMILESC=CCN1C(=O)C/C(=C\C(C)C(=O)NCC(C)C)C1=O
InChIInChI=1S/C15H22N2O3/c1-5-6-17-13(18)8-12(15(17)20)7-11(4)14(19)16-9-10(2)3/h5,7,10-11H,1,6,8-9H2,2-4H3,(H,16,19)/b12-7+
InChIKeyPVFSIPRDSWIUKB-KPKJPENVSA-N
MW278.35 g/mol
LogP1.27
Rot. Bonds6

About (3E)-3-(2,5-dioxo-1-prop-2-enylpyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide

(3E)-3-(2,5-dioxo-1-prop-2-enylpyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide (PubChem CID 154711264) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (3E)-3-(2,5-dioxo-1-prop-2-enylpyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name(3E)-3-(2,5-dioxo-1-prop-2-enylpyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide
PubChem CID154711264
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(3E)-3-(2,5-dioxo-1-prop-2-enylpyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide
SMILESC=CCN1C(=O)C/C(=C\C(C)C(=O)NCC(C)C)C1=O
InChIInChI=1S/C15H22N2O3/c1-5-6-17-13(18)8-12(15(17)20)7-11(4)14(19)16-9-10(2)3/h5,7,10-11H,1,6,8-9H2,2-4H3,(H,16,19)/b12-7+
InChIKeyPVFSIPRDSWIUKB-KPKJPENVSA-N
XLogP1.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (3E)-3-(2,5-dioxo-1-prop-2-enylpyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide 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 (3E)-3-(2,5-dioxo-1-prop-2-enylpyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide?
The IUPAC name of (3E)-3-(2,5-dioxo-1-prop-2-enylpyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide (CID 154711264) is (3E)-3-(2,5-dioxo-1-prop-2-enylpyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide.
What is the SMILES notation for (3E)-3-(2,5-dioxo-1-prop-2-enylpyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide?
The canonical SMILES for (3E)-3-(2,5-dioxo-1-prop-2-enylpyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide is C=CCN1C(=O)C/C(=C\C(C)C(=O)NCC(C)C)C1=O.
What is the InChIKey of (3E)-3-(2,5-dioxo-1-prop-2-enylpyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide?
The InChIKey is PVFSIPRDSWIUKB-KPKJPENVSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-5-6-17-13(18)8-12(15(17)20)7-11(4)14(19)16-9-10(2)3/h5,7,10-11H,1,6,8-9H2,2-4H3,(H,16,19)/b12-7+.
What are the key properties of (3E)-3-(2,5-dioxo-1-prop-2-enylpyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide?
(3E)-3-(2,5-dioxo-1-prop-2-enylpyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide has a molecular weight of 278.35 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(2,5-dioxo-1-prop-2-enylpyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 154711264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).