2-methyl-N-methylideneocta-2,4,7-trienamide

C10H13NO — CID 123605624

IUPAC2-methyl-N-methylideneocta-2,4,7-trienamide
SMILESC=CCC=CC=C(C)C(=O)N=C
InChIInChI=1S/C10H13NO/c1-4-5-6-7-8-9(2)10(12)11-3/h4,6-8H,1,3,5H2,2H3
InChIKeyASNDWSKOJHADKN-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.29
Rot. Bonds4

About 2-methyl-N-methylideneocta-2,4,7-trienamide

2-methyl-N-methylideneocta-2,4,7-trienamide (PubChem CID 123605624) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-methyl-N-methylideneocta-2,4,7-trienamide.

Molecular Properties

Compound Name2-methyl-N-methylideneocta-2,4,7-trienamide
PubChem CID123605624
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name2-methyl-N-methylideneocta-2,4,7-trienamide
SMILESC=CCC=CC=C(C)C(=O)N=C
InChIInChI=1S/C10H13NO/c1-4-5-6-7-8-9(2)10(12)11-3/h4,6-8H,1,3,5H2,2H3
InChIKeyASNDWSKOJHADKN-UHFFFAOYSA-N
XLogP2.29
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-methylideneocta-2,4,7-trienamide?
The IUPAC name of 2-methyl-N-methylideneocta-2,4,7-trienamide (CID 123605624) is 2-methyl-N-methylideneocta-2,4,7-trienamide.
What is the SMILES notation for 2-methyl-N-methylideneocta-2,4,7-trienamide?
The canonical SMILES for 2-methyl-N-methylideneocta-2,4,7-trienamide is C=CCC=CC=C(C)C(=O)N=C.
What is the InChIKey of 2-methyl-N-methylideneocta-2,4,7-trienamide?
The InChIKey is ASNDWSKOJHADKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-4-5-6-7-8-9(2)10(12)11-3/h4,6-8H,1,3,5H2,2H3.
What are the key properties of 2-methyl-N-methylideneocta-2,4,7-trienamide?
2-methyl-N-methylideneocta-2,4,7-trienamide has a molecular weight of 163.22 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-methylideneocta-2,4,7-trienamide is sourced from PubChem (CID 123605624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).