N-(2-methylidenehexa-3,5-dienyl)acetamide

C9H13NO — CID 123691592

IUPACN-(2-methylidenehexa-3,5-dienyl)acetamide
SMILESC=CC=CC(=C)CNC(C)=O
InChIInChI=1S/C9H13NO/c1-4-5-6-8(2)7-10-9(3)11/h4-6H,1-2,7H2,3H3,(H,10,11)
InChIKeyPIDCKBQZUYTCBG-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.42
Rot. Bonds4

About N-(2-methylidenehexa-3,5-dienyl)acetamide

N-(2-methylidenehexa-3,5-dienyl)acetamide (PubChem CID 123691592) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is N-(2-methylidenehexa-3,5-dienyl)acetamide.

Molecular Properties

Compound NameN-(2-methylidenehexa-3,5-dienyl)acetamide
PubChem CID123691592
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC NameN-(2-methylidenehexa-3,5-dienyl)acetamide
SMILESC=CC=CC(=C)CNC(C)=O
InChIInChI=1S/C9H13NO/c1-4-5-6-8(2)7-10-9(3)11/h4-6H,1-2,7H2,3H3,(H,10,11)
InChIKeyPIDCKBQZUYTCBG-UHFFFAOYSA-N
XLogP1.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-methylidenehexa-3,5-dienyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Spilanthol
CID 5353001
N-Isobutyl-2,4,8,10,12-tetradecapentaenamide
CID 5318518
Dodeca-2E,4E,8Z,10Z-Tetraenoic Acid Isobutylamide
CID 11413953
(2E,4E,8Z,10E)-N-(2-methylpropyl)dodeca-2,4,8,10-tetraenamide
CID 6440539
8,9-Dehydropellitorine
CID 14427412
Dodeca-2E,4E,8Z-Trienoic Acid Isobutylamide
CID 15609890
(2E,4E,8E,10Z)-N-(2-methylpropyl)dodeca-2,4,8,10-tetraenamide
CID 12315250
(E,E,Z,E)-N-(2-Methylpropyl)-2,6,8,10-dodecatetraenamide
CID 131751109
N-(2-Methylpropyl)-2,6,8-decatrienamide
CID 530394
2,4-Octadienamide, N-(2-methylpropyl)-, (E,E)-
CID 6479668
Dehydro-gamma-sanshool
CID 5316465
(2E,4E,8Z,11E)-N-(2-methylpropyl)tetradeca-2,4,8,11-tetraenamide
CID 5318941

Frequently Asked Questions

What is the IUPAC name of N-(2-methylidenehexa-3,5-dienyl)acetamide?
The IUPAC name of N-(2-methylidenehexa-3,5-dienyl)acetamide (CID 123691592) is N-(2-methylidenehexa-3,5-dienyl)acetamide.
What is the SMILES notation for N-(2-methylidenehexa-3,5-dienyl)acetamide?
The canonical SMILES for N-(2-methylidenehexa-3,5-dienyl)acetamide is C=CC=CC(=C)CNC(C)=O.
What is the InChIKey of N-(2-methylidenehexa-3,5-dienyl)acetamide?
The InChIKey is PIDCKBQZUYTCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-4-5-6-8(2)7-10-9(3)11/h4-6H,1-2,7H2,3H3,(H,10,11).
What are the key properties of N-(2-methylidenehexa-3,5-dienyl)acetamide?
N-(2-methylidenehexa-3,5-dienyl)acetamide has a molecular weight of 151.21 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylidenehexa-3,5-dienyl)acetamide is sourced from PubChem (CID 123691592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).