(3E)-3-(1-ethyl-2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide

C14H22N2O3 — CID 154711150

IUPAC(3E)-3-(1-ethyl-2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide
SMILESCCN1C(=O)C/C(=C\C(C)C(=O)NCC(C)C)C1=O
InChIInChI=1S/C14H22N2O3/c1-5-16-12(17)7-11(14(16)19)6-10(4)13(18)15-8-9(2)3/h6,9-10H,5,7-8H2,1-4H3,(H,15,18)/b11-6+
InChIKeyMLEPGLJAZYCUQR-IZZDOVSWSA-N
MW266.34 g/mol
LogP1.10
Rot. Bonds5

About (3E)-3-(1-ethyl-2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide

(3E)-3-(1-ethyl-2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide (PubChem CID 154711150) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is (3E)-3-(1-ethyl-2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name(3E)-3-(1-ethyl-2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide
PubChem CID154711150
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name(3E)-3-(1-ethyl-2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide
SMILESCCN1C(=O)C/C(=C\C(C)C(=O)NCC(C)C)C1=O
InChIInChI=1S/C14H22N2O3/c1-5-16-12(17)7-11(14(16)19)6-10(4)13(18)15-8-9(2)3/h6,9-10H,5,7-8H2,1-4H3,(H,15,18)/b11-6+
InChIKeyMLEPGLJAZYCUQR-IZZDOVSWSA-N
XLogP1.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-(1-ethyl-2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide?
The IUPAC name of (3E)-3-(1-ethyl-2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide (CID 154711150) is (3E)-3-(1-ethyl-2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide.
What is the SMILES notation for (3E)-3-(1-ethyl-2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide?
The canonical SMILES for (3E)-3-(1-ethyl-2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide is CCN1C(=O)C/C(=C\C(C)C(=O)NCC(C)C)C1=O.
What is the InChIKey of (3E)-3-(1-ethyl-2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide?
The InChIKey is MLEPGLJAZYCUQR-IZZDOVSWSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-5-16-12(17)7-11(14(16)19)6-10(4)13(18)15-8-9(2)3/h6,9-10H,5,7-8H2,1-4H3,(H,15,18)/b11-6+.
What are the key properties of (3E)-3-(1-ethyl-2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide?
(3E)-3-(1-ethyl-2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide has a molecular weight of 266.34 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(1-ethyl-2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 154711150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).