3-methylocta-2,4,6-trienamide

C9H13NO — CID 141023741

IUPAC3-methylocta-2,4,6-trienamide
SMILESCC=CC=CC(C)=CC(N)=O
InChIInChI=1S/C9H13NO/c1-3-4-5-6-8(2)7-9(10)11/h3-7H,1-2H3,(H2,10,11)
InChIKeyNDXGJFNBTPOARI-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.55
Rot. Bonds3

About 3-methylocta-2,4,6-trienamide

3-methylocta-2,4,6-trienamide (PubChem CID 141023741) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 3-methylocta-2,4,6-trienamide.

Molecular Properties

Compound Name3-methylocta-2,4,6-trienamide
PubChem CID141023741
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name3-methylocta-2,4,6-trienamide
SMILESCC=CC=CC(C)=CC(N)=O
InChIInChI=1S/C9H13NO/c1-3-4-5-6-8(2)7-9(10)11/h3-7H,1-2H3,(H2,10,11)
InChIKeyNDXGJFNBTPOARI-UHFFFAOYSA-N
XLogP1.55
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-hexa-2,4-dienamide;phosphane
CID 175915492
(3Z)-hepta-3,5-dien-2-one
CID 123850748
(3Z,5E)-hepta-3,5-dien-2-one
CID 12524557
(2E,4E)-hexa-2,4-dienoic acid;urea
CID 175321331
(2E,4E,6E)-3-methylocta-2,4,6-trienal
CID 24977703
(3-methylocta-2,4,6-trienylideneamino)urea
CID 3312276
(2Z,4Z,6Z)-3-methylocta-2,4,6-trien-2-amine
CID 146587341
(2E,4E)-hexa-2,4-dienoic acid;hydrogen peroxide
CID 22237716
(2Z,3Z,5Z)-2-(1-aminoethylidene)hepta-3,5-dienal
CID 145029008
ethane;methoxymethane;(2Z,4Z,6Z)-3-methylocta-2,4,6-triene
CID 144653602
(2E,6Z,8E)-deca-2,6,8-trienamide
CID 87690311
(1Z,3E,5E,7Z,9Z,11E)-7-methyltrideca-1,3,5,7,9,11-hexaen-1-amine
CID 145412761

Frequently Asked Questions

What is the IUPAC name of 3-methylocta-2,4,6-trienamide?
The IUPAC name of 3-methylocta-2,4,6-trienamide (CID 141023741) is 3-methylocta-2,4,6-trienamide.
What is the SMILES notation for 3-methylocta-2,4,6-trienamide?
The canonical SMILES for 3-methylocta-2,4,6-trienamide is CC=CC=CC(C)=CC(N)=O.
What is the InChIKey of 3-methylocta-2,4,6-trienamide?
The InChIKey is NDXGJFNBTPOARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-3-4-5-6-8(2)7-9(10)11/h3-7H,1-2H3,(H2,10,11).
What are the key properties of 3-methylocta-2,4,6-trienamide?
3-methylocta-2,4,6-trienamide has a molecular weight of 151.21 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylocta-2,4,6-trienamide is sourced from PubChem (CID 141023741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).