6-methyl-N-prop-2-enyloct-6-en-4-ynamide

C12H17NO — CID 135041847

IUPAC6-methyl-N-prop-2-enyloct-6-en-4-ynamide
SMILESC=CCNC(=O)CCC#CC(C)=CC
InChIInChI=1S/C12H17NO/c1-4-10-13-12(14)9-7-6-8-11(3)5-2/h4-5H,1,7,9-10H2,2-3H3,(H,13,14)
InChIKeyMPSOAZOVTXJKDZ-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.04
Rot. Bonds4

About 6-methyl-N-prop-2-enyloct-6-en-4-ynamide

6-methyl-N-prop-2-enyloct-6-en-4-ynamide (PubChem CID 135041847) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 6-methyl-N-prop-2-enyloct-6-en-4-ynamide.

Molecular Properties

Compound Name6-methyl-N-prop-2-enyloct-6-en-4-ynamide
PubChem CID135041847
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name6-methyl-N-prop-2-enyloct-6-en-4-ynamide
SMILESC=CCNC(=O)CCC#CC(C)=CC
InChIInChI=1S/C12H17NO/c1-4-10-13-12(14)9-7-6-8-11(3)5-2/h4-5H,1,7,9-10H2,2-3H3,(H,13,14)
InChIKeyMPSOAZOVTXJKDZ-UHFFFAOYSA-N
XLogP2.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-prop-2-enyloct-6-en-4-ynamide?
The IUPAC name of 6-methyl-N-prop-2-enyloct-6-en-4-ynamide (CID 135041847) is 6-methyl-N-prop-2-enyloct-6-en-4-ynamide.
What is the SMILES notation for 6-methyl-N-prop-2-enyloct-6-en-4-ynamide?
The canonical SMILES for 6-methyl-N-prop-2-enyloct-6-en-4-ynamide is C=CCNC(=O)CCC#CC(C)=CC.
What is the InChIKey of 6-methyl-N-prop-2-enyloct-6-en-4-ynamide?
The InChIKey is MPSOAZOVTXJKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-4-10-13-12(14)9-7-6-8-11(3)5-2/h4-5H,1,7,9-10H2,2-3H3,(H,13,14).
What are the key properties of 6-methyl-N-prop-2-enyloct-6-en-4-ynamide?
6-methyl-N-prop-2-enyloct-6-en-4-ynamide has a molecular weight of 191.27 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-prop-2-enyloct-6-en-4-ynamide is sourced from PubChem (CID 135041847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).