2-methyl-N-[9-(oxiran-2-yl)nonyl]prop-2-enamide

C15H27NO2 — CID 135223244

IUPAC2-methyl-N-[9-(oxiran-2-yl)nonyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCCCCCCCCC1CO1
InChIInChI=1S/C15H27NO2/c1-13(2)15(17)16-11-9-7-5-3-4-6-8-10-14-12-18-14/h14H,1,3-12H2,2H3,(H,16,17)
InChIKeyOSRISTIIGPVTJD-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.20
Rot. Bonds11

About 2-methyl-N-[9-(oxiran-2-yl)nonyl]prop-2-enamide

2-methyl-N-[9-(oxiran-2-yl)nonyl]prop-2-enamide (PubChem CID 135223244) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-methyl-N-[9-(oxiran-2-yl)nonyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[9-(oxiran-2-yl)nonyl]prop-2-enamide
PubChem CID135223244
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name2-methyl-N-[9-(oxiran-2-yl)nonyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCCCCCCCCC1CO1
InChIInChI=1S/C15H27NO2/c1-13(2)15(17)16-11-9-7-5-3-4-6-8-10-14-12-18-14/h14H,1,3-12H2,2H3,(H,16,17)
InChIKeyOSRISTIIGPVTJD-UHFFFAOYSA-N
XLogP3.20
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-methyl-N-[9-(oxiran-2-yl)nonyl]prop-2-enamide 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 2-methyl-N-[9-(oxiran-2-yl)nonyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[9-(oxiran-2-yl)nonyl]prop-2-enamide (CID 135223244) is 2-methyl-N-[9-(oxiran-2-yl)nonyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[9-(oxiran-2-yl)nonyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[9-(oxiran-2-yl)nonyl]prop-2-enamide is C=C(C)C(=O)NCCCCCCCCCC1CO1.
What is the InChIKey of 2-methyl-N-[9-(oxiran-2-yl)nonyl]prop-2-enamide?
The InChIKey is OSRISTIIGPVTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-13(2)15(17)16-11-9-7-5-3-4-6-8-10-14-12-18-14/h14H,1,3-12H2,2H3,(H,16,17).
What are the key properties of 2-methyl-N-[9-(oxiran-2-yl)nonyl]prop-2-enamide?
2-methyl-N-[9-(oxiran-2-yl)nonyl]prop-2-enamide has a molecular weight of 253.39 g/mol, XLogP of 3.20, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[9-(oxiran-2-yl)nonyl]prop-2-enamide is sourced from PubChem (CID 135223244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).