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

C15H22N2O3 — CID 154710873

IUPAC(3E)-N-cyclohexyl-2-methyl-3-(1-methyl-2,5-dioxopyrrolidin-3-ylidene)propanamide
SMILESCC(/C=C1\CC(=O)N(C)C1=O)C(=O)NC1CCCCC1
InChIInChI=1S/C15H22N2O3/c1-10(8-11-9-13(18)17(2)15(11)20)14(19)16-12-6-4-3-5-7-12/h8,10,12H,3-7,9H2,1-2H3,(H,16,19)/b11-8+
InChIKeyNZFLUQRYNCZWII-DHZHZOJOSA-N
MW278.35 g/mol
LogP1.39
Rot. Bonds3

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

(3E)-N-cyclohexyl-2-methyl-3-(1-methyl-2,5-dioxopyrrolidin-3-ylidene)propanamide (PubChem CID 154710873) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (3E)-N-cyclohexyl-2-methyl-3-(1-methyl-2,5-dioxopyrrolidin-3-ylidene)propanamide.

Molecular Properties

Compound Name(3E)-N-cyclohexyl-2-methyl-3-(1-methyl-2,5-dioxopyrrolidin-3-ylidene)propanamide
PubChem CID154710873
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(3E)-N-cyclohexyl-2-methyl-3-(1-methyl-2,5-dioxopyrrolidin-3-ylidene)propanamide
SMILESCC(/C=C1\CC(=O)N(C)C1=O)C(=O)NC1CCCCC1
InChIInChI=1S/C15H22N2O3/c1-10(8-11-9-13(18)17(2)15(11)20)14(19)16-12-6-4-3-5-7-12/h8,10,12H,3-7,9H2,1-2H3,(H,16,19)/b11-8+
InChIKeyNZFLUQRYNCZWII-DHZHZOJOSA-N
XLogP1.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.39
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)-N-cyclohexyl-2-methyl-3-(1-methyl-2,5-dioxopyrrolidin-3-ylidene)propanamide?
The IUPAC name of (3E)-N-cyclohexyl-2-methyl-3-(1-methyl-2,5-dioxopyrrolidin-3-ylidene)propanamide (CID 154710873) is (3E)-N-cyclohexyl-2-methyl-3-(1-methyl-2,5-dioxopyrrolidin-3-ylidene)propanamide.
What is the SMILES notation for (3E)-N-cyclohexyl-2-methyl-3-(1-methyl-2,5-dioxopyrrolidin-3-ylidene)propanamide?
The canonical SMILES for (3E)-N-cyclohexyl-2-methyl-3-(1-methyl-2,5-dioxopyrrolidin-3-ylidene)propanamide is CC(/C=C1\CC(=O)N(C)C1=O)C(=O)NC1CCCCC1.
What is the InChIKey of (3E)-N-cyclohexyl-2-methyl-3-(1-methyl-2,5-dioxopyrrolidin-3-ylidene)propanamide?
The InChIKey is NZFLUQRYNCZWII-DHZHZOJOSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10(8-11-9-13(18)17(2)15(11)20)14(19)16-12-6-4-3-5-7-12/h8,10,12H,3-7,9H2,1-2H3,(H,16,19)/b11-8+.
What are the key properties of (3E)-N-cyclohexyl-2-methyl-3-(1-methyl-2,5-dioxopyrrolidin-3-ylidene)propanamide?
(3E)-N-cyclohexyl-2-methyl-3-(1-methyl-2,5-dioxopyrrolidin-3-ylidene)propanamide has a molecular weight of 278.35 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-cyclohexyl-2-methyl-3-(1-methyl-2,5-dioxopyrrolidin-3-ylidene)propanamide is sourced from PubChem (CID 154710873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).