N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]acetamide

C9H13NO — CID 129215041

IUPACN-[(2E,4Z)-hepta-2,4,6-trien-3-yl]acetamide
SMILESC=C/C=C\C(=C/C)NC(C)=O
InChIInChI=1S/C9H13NO/c1-4-6-7-9(5-2)10-8(3)11/h4-7H,1H2,2-3H3,(H,10,11)/b7-6-,9-5+
InChIKeyINEXWDRXMBFXHQ-QRLJIZSYSA-N
MW151.21 g/mol
LogP1.77
Rot. Bonds3

About N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]acetamide

N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]acetamide (PubChem CID 129215041) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2E,4Z)-hepta-2,4,6-trien-3-yl]acetamide
PubChem CID129215041
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC NameN-[(2E,4Z)-hepta-2,4,6-trien-3-yl]acetamide
SMILESC=C/C=C\C(=C/C)NC(C)=O
InChIInChI=1S/C9H13NO/c1-4-6-7-9(5-2)10-8(3)11/h4-7H,1H2,2-3H3,(H,10,11)/b7-6-,9-5+
InChIKeyINEXWDRXMBFXHQ-QRLJIZSYSA-N
XLogP1.77
TPSA29.10 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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]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

ethane;N-[(3E,5Z)-octa-3,5,7-trien-4-yl]acetamide
CID 144641334
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N'-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxamide
CID 146500777
(3E,5Z)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]octa-1,3,5,7-tetraen-4-amine
CID 170401360
(2E)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-hydroxyiminoacetamide
CID 177149097
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-iminoacetamide
CID 177149114
1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]urea
CID 166820830
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]hex-4-ynamide
CID 143464516
ethane;[(2E,4Z)-hepta-2,4,6-trien-3-yl]hydrazine
CID 154694303
N-[(2E,4Z)-6-chlorohexa-2,4-dien-3-yl]acetamide
CID 142119428
N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]acetamide
CID 130312596
ethane;N-[(2E,4Z)-hepta-2,4-dien-3-yl]acetamide
CID 143175455
2-cyclohexylpropan-2-yl N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]carbamate
CID 87171123

Frequently Asked Questions

What is the IUPAC name of N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]acetamide?
The IUPAC name of N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]acetamide (CID 129215041) is N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]acetamide.
What is the SMILES notation for N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]acetamide?
The canonical SMILES for N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]acetamide is C=C/C=C\C(=C/C)NC(C)=O.
What is the InChIKey of N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]acetamide?
The InChIKey is INEXWDRXMBFXHQ-QRLJIZSYSA-N. The full InChI is InChI=1S/C9H13NO/c1-4-6-7-9(5-2)10-8(3)11/h4-7H,1H2,2-3H3,(H,10,11)/b7-6-,9-5+.
What are the key properties of N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]acetamide?
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]acetamide has a molecular weight of 151.21 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]acetamide is sourced from PubChem (CID 129215041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).