N-[(3Z,4Z)-3-ethylidenehepta-4,6-dienyl]acetamide

C11H17NO — CID 122535321

IUPACN-[(3Z,4Z)-3-ethylidenehepta-4,6-dienyl]acetamide
SMILESC=C/C=C\C(=C/C)CCNC(C)=O
InChIInChI=1S/C11H17NO/c1-4-6-7-11(5-2)8-9-12-10(3)13/h4-7H,1,8-9H2,2-3H3,(H,12,13)/b7-6-,11-5+
InChIKeyOGILEBGGTRZCJH-TUKAJDRUSA-N
MW179.26 g/mol
LogP2.20
Rot. Bonds5

About N-[(3Z,4Z)-3-ethylidenehepta-4,6-dienyl]acetamide

N-[(3Z,4Z)-3-ethylidenehepta-4,6-dienyl]acetamide (PubChem CID 122535321) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N-[(3Z,4Z)-3-ethylidenehepta-4,6-dienyl]acetamide.

Molecular Properties

Compound NameN-[(3Z,4Z)-3-ethylidenehepta-4,6-dienyl]acetamide
PubChem CID122535321
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN-[(3Z,4Z)-3-ethylidenehepta-4,6-dienyl]acetamide
SMILESC=C/C=C\C(=C/C)CCNC(C)=O
InChIInChI=1S/C11H17NO/c1-4-6-7-11(5-2)8-9-12-10(3)13/h4-7H,1,8-9H2,2-3H3,(H,12,13)/b7-6-,11-5+
InChIKeyOGILEBGGTRZCJH-TUKAJDRUSA-N
XLogP2.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4Z,5Z)-4-ethylideneocta-5,7-dien-1-ol
CID 89317251
3-ethylidenehepta-4,6-dienoic acid
CID 90984138
N-hexa-3,5-dienylacetamide
CID 59663062
N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]butanamide
CID 167457562
(3Z,5Z)-5-ethylidenedodeca-1,3-diene
CID 143713569
N-(2-methylidenehexa-3,5-dienyl)acetamide
CID 123691592
ethane;(4Z,5Z)-4-ethylidene-2-oxoocta-5,7-dienoic acid
CID 143265968
ethane;(3Z,5Z)-5-ethylhepta-1,3,5-triene
CID 145142585
(3Z,5Z)-5-ethylhepta-1,3,5-triene;methane
CID 143680457
ethyl [(2E,3Z)-2-ethylidenehexa-3,5-dienyl] carbonate
CID 142095752
N-[(3Z)-3-(1-bromoethenyl)hexa-3,5-dienyl]acetamide
CID 145058576
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]acetamide
CID 129215041

Frequently Asked Questions

What is the IUPAC name of N-[(3Z,4Z)-3-ethylidenehepta-4,6-dienyl]acetamide?
The IUPAC name of N-[(3Z,4Z)-3-ethylidenehepta-4,6-dienyl]acetamide (CID 122535321) is N-[(3Z,4Z)-3-ethylidenehepta-4,6-dienyl]acetamide.
What is the SMILES notation for N-[(3Z,4Z)-3-ethylidenehepta-4,6-dienyl]acetamide?
The canonical SMILES for N-[(3Z,4Z)-3-ethylidenehepta-4,6-dienyl]acetamide is C=C/C=C\C(=C/C)CCNC(C)=O.
What is the InChIKey of N-[(3Z,4Z)-3-ethylidenehepta-4,6-dienyl]acetamide?
The InChIKey is OGILEBGGTRZCJH-TUKAJDRUSA-N. The full InChI is InChI=1S/C11H17NO/c1-4-6-7-11(5-2)8-9-12-10(3)13/h4-7H,1,8-9H2,2-3H3,(H,12,13)/b7-6-,11-5+.
What are the key properties of N-[(3Z,4Z)-3-ethylidenehepta-4,6-dienyl]acetamide?
N-[(3Z,4Z)-3-ethylidenehepta-4,6-dienyl]acetamide has a molecular weight of 179.26 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,4Z)-3-ethylidenehepta-4,6-dienyl]acetamide is sourced from PubChem (CID 122535321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).