N-[(E)-4-methylpent-2-enyl]oxane-4-carboxamide

C12H21NO2 — CID 178011647

IUPACN-[(E)-4-methylpent-2-enyl]oxane-4-carboxamide
SMILESCC(C)/C=C/CNC(=O)C1CCOCC1
InChIInChI=1S/C12H21NO2/c1-10(2)4-3-7-13-12(14)11-5-8-15-9-6-11/h3-4,10-11H,5-9H2,1-2H3,(H,13,14)/b4-3+
InChIKeyKFJRAOLZUYRLAL-ONEGZZNKSA-N
MW211.31 g/mol
LogP1.74
Rot. Bonds4

About N-[(E)-4-methylpent-2-enyl]oxane-4-carboxamide

N-[(E)-4-methylpent-2-enyl]oxane-4-carboxamide (PubChem CID 178011647) has the molecular formula C12H21NO2 and a molecular weight of 211.31 g/mol. Its IUPAC name is N-[(E)-4-methylpent-2-enyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-4-methylpent-2-enyl]oxane-4-carboxamide
PubChem CID178011647
Molecular FormulaC12H21NO2
Molecular Weight211.31 g/mol
Exact Mass211.16
IUPAC NameN-[(E)-4-methylpent-2-enyl]oxane-4-carboxamide
SMILESCC(C)/C=C/CNC(=O)C1CCOCC1
InChIInChI=1S/C12H21NO2/c1-10(2)4-3-7-13-12(14)11-5-8-15-9-6-11/h3-4,10-11H,5-9H2,1-2H3,(H,13,14)/b4-3+
InChIKeyKFJRAOLZUYRLAL-ONEGZZNKSA-N
XLogP1.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(E)-4-methylpent-2-enyl]oxane-4-carboxamide 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 N-[(E)-4-methylpent-2-enyl]oxane-4-carboxamide?
The IUPAC name of N-[(E)-4-methylpent-2-enyl]oxane-4-carboxamide (CID 178011647) is N-[(E)-4-methylpent-2-enyl]oxane-4-carboxamide.
What is the SMILES notation for N-[(E)-4-methylpent-2-enyl]oxane-4-carboxamide?
The canonical SMILES for N-[(E)-4-methylpent-2-enyl]oxane-4-carboxamide is CC(C)/C=C/CNC(=O)C1CCOCC1.
What is the InChIKey of N-[(E)-4-methylpent-2-enyl]oxane-4-carboxamide?
The InChIKey is KFJRAOLZUYRLAL-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H21NO2/c1-10(2)4-3-7-13-12(14)11-5-8-15-9-6-11/h3-4,10-11H,5-9H2,1-2H3,(H,13,14)/b4-3+.
What are the key properties of N-[(E)-4-methylpent-2-enyl]oxane-4-carboxamide?
N-[(E)-4-methylpent-2-enyl]oxane-4-carboxamide has a molecular weight of 211.31 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-methylpent-2-enyl]oxane-4-carboxamide is sourced from PubChem (CID 178011647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).