(E)-N-cyclohexyl-3-methyl-2-(2-oxopyrrolidin-1-yl)pent-3-enamide

C16H26N2O2 — CID 134847370

IUPAC(E)-N-cyclohexyl-3-methyl-2-(2-oxopyrrolidin-1-yl)pent-3-enamide
SMILESC/C=C(\C)C(C(=O)NC1CCCCC1)N1CCCC1=O
InChIInChI=1S/C16H26N2O2/c1-3-12(2)15(18-11-7-10-14(18)19)16(20)17-13-8-5-4-6-9-13/h3,13,15H,4-11H2,1-2H3,(H,17,20)/b12-3+
InChIKeyRHXDBUWMJCIZCD-KGVSQERTSA-N
MW278.40 g/mol
LogP2.39
Rot. Bonds4

About (E)-N-cyclohexyl-3-methyl-2-(2-oxopyrrolidin-1-yl)pent-3-enamide

(E)-N-cyclohexyl-3-methyl-2-(2-oxopyrrolidin-1-yl)pent-3-enamide (PubChem CID 134847370) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (E)-N-cyclohexyl-3-methyl-2-(2-oxopyrrolidin-1-yl)pent-3-enamide.

Molecular Properties

Compound Name(E)-N-cyclohexyl-3-methyl-2-(2-oxopyrrolidin-1-yl)pent-3-enamide
PubChem CID134847370
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name(E)-N-cyclohexyl-3-methyl-2-(2-oxopyrrolidin-1-yl)pent-3-enamide
SMILESC/C=C(\C)C(C(=O)NC1CCCCC1)N1CCCC1=O
InChIInChI=1S/C16H26N2O2/c1-3-12(2)15(18-11-7-10-14(18)19)16(20)17-13-8-5-4-6-9-13/h3,13,15H,4-11H2,1-2H3,(H,17,20)/b12-3+
InChIKeyRHXDBUWMJCIZCD-KGVSQERTSA-N
XLogP2.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.39
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 (E)-N-cyclohexyl-3-methyl-2-(2-oxopyrrolidin-1-yl)pent-3-enamide?
The IUPAC name of (E)-N-cyclohexyl-3-methyl-2-(2-oxopyrrolidin-1-yl)pent-3-enamide (CID 134847370) is (E)-N-cyclohexyl-3-methyl-2-(2-oxopyrrolidin-1-yl)pent-3-enamide.
What is the SMILES notation for (E)-N-cyclohexyl-3-methyl-2-(2-oxopyrrolidin-1-yl)pent-3-enamide?
The canonical SMILES for (E)-N-cyclohexyl-3-methyl-2-(2-oxopyrrolidin-1-yl)pent-3-enamide is C/C=C(\C)C(C(=O)NC1CCCCC1)N1CCCC1=O.
What is the InChIKey of (E)-N-cyclohexyl-3-methyl-2-(2-oxopyrrolidin-1-yl)pent-3-enamide?
The InChIKey is RHXDBUWMJCIZCD-KGVSQERTSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-12(2)15(18-11-7-10-14(18)19)16(20)17-13-8-5-4-6-9-13/h3,13,15H,4-11H2,1-2H3,(H,17,20)/b12-3+.
What are the key properties of (E)-N-cyclohexyl-3-methyl-2-(2-oxopyrrolidin-1-yl)pent-3-enamide?
(E)-N-cyclohexyl-3-methyl-2-(2-oxopyrrolidin-1-yl)pent-3-enamide has a molecular weight of 278.40 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclohexyl-3-methyl-2-(2-oxopyrrolidin-1-yl)pent-3-enamide is sourced from PubChem (CID 134847370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).