2-methylidene-8-(oxiran-2-yl)octanamide

C11H19NO2 — CID 135222774

IUPAC2-methylidene-8-(oxiran-2-yl)octanamide
SMILESC=C(CCCCCCC1CO1)C(N)=O
InChIInChI=1S/C11H19NO2/c1-9(11(12)13)6-4-2-3-5-7-10-8-14-10/h10H,1-8H2,(H2,12,13)
InChIKeyYNSABFQICKYSPT-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.77
Rot. Bonds8

About 2-methylidene-8-(oxiran-2-yl)octanamide

2-methylidene-8-(oxiran-2-yl)octanamide (PubChem CID 135222774) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-methylidene-8-(oxiran-2-yl)octanamide.

Molecular Properties

Compound Name2-methylidene-8-(oxiran-2-yl)octanamide
PubChem CID135222774
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-methylidene-8-(oxiran-2-yl)octanamide
SMILESC=C(CCCCCCC1CO1)C(N)=O
InChIInChI=1S/C11H19NO2/c1-9(11(12)13)6-4-2-3-5-7-10-8-14-10/h10H,1-8H2,(H2,12,13)
InChIKeyYNSABFQICKYSPT-UHFFFAOYSA-N
XLogP1.77
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.77
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-8-(oxiran-2-yl)octanamide?
The IUPAC name of 2-methylidene-8-(oxiran-2-yl)octanamide (CID 135222774) is 2-methylidene-8-(oxiran-2-yl)octanamide.
What is the SMILES notation for 2-methylidene-8-(oxiran-2-yl)octanamide?
The canonical SMILES for 2-methylidene-8-(oxiran-2-yl)octanamide is C=C(CCCCCCC1CO1)C(N)=O.
What is the InChIKey of 2-methylidene-8-(oxiran-2-yl)octanamide?
The InChIKey is YNSABFQICKYSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-9(11(12)13)6-4-2-3-5-7-10-8-14-10/h10H,1-8H2,(H2,12,13).
What are the key properties of 2-methylidene-8-(oxiran-2-yl)octanamide?
2-methylidene-8-(oxiran-2-yl)octanamide has a molecular weight of 197.28 g/mol, XLogP of 1.77, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-8-(oxiran-2-yl)octanamide is sourced from PubChem (CID 135222774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).