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

C11H17NO — CID 166970905

IUPACN-[(2E,4Z,6Z)-3-methylocta-2,4,6-trien-2-yl]acetamide
SMILESC/C=C\C=C/C(C)=C(\C)NC(C)=O
InChIInChI=1S/C11H17NO/c1-5-6-7-8-9(2)10(3)12-11(4)13/h5-8H,1-4H3,(H,12,13)/b6-5-,8-7-,10-9+
InChIKeyLKZUMPPVXVYPIM-YXABPGESSA-N
MW179.26 g/mol
LogP2.55
Rot. Bonds3

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

N-[(2E,4Z,6Z)-3-methylocta-2,4,6-trien-2-yl]acetamide (PubChem CID 166970905) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N-[(2E,4Z,6Z)-3-methylocta-2,4,6-trien-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2E,4Z,6Z)-3-methylocta-2,4,6-trien-2-yl]acetamide
PubChem CID166970905
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN-[(2E,4Z,6Z)-3-methylocta-2,4,6-trien-2-yl]acetamide
SMILESC/C=C\C=C/C(C)=C(\C)NC(C)=O
InChIInChI=1S/C11H17NO/c1-5-6-7-8-9(2)10(3)12-11(4)13/h5-8H,1-4H3,(H,12,13)/b6-5-,8-7-,10-9+
InChIKeyLKZUMPPVXVYPIM-YXABPGESSA-N
XLogP2.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.55
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

(2Z,4Z,6Z)-3-methylocta-2,4,6-trien-2-amine
CID 146587341
(3Z)-hepta-3,5-dien-2-one
CID 123850748
(3Z,5E)-hepta-3,5-dien-2-one
CID 12524557
(3E,5E)-2-oxohepta-3,5-dienal
CID 89374999
(2E,4E)-hexa-2,4-dienoic acid;hydrogen peroxide
CID 22237716
octa-1,4,6-trien-3-one
CID 85299948
hexacosapotassium;tris(hexa-2,4-dienoic acid)
CID 173324398
hexa-2,4-dienoic acid;sulfane
CID 173071228
bis((2E,4E)-hexa-2,4-dienoic acid);hydrate
CID 175549543
henhexacontapotassium;hexakis(hexa-2,4-dienoic acid)
CID 173299279
(2E,4E)-hexa-2,4-dienoic acid;neodymium
CID 175104314
N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]acetamide
CID 130312596

Frequently Asked Questions

What is the IUPAC name of N-[(2E,4Z,6Z)-3-methylocta-2,4,6-trien-2-yl]acetamide?
The IUPAC name of N-[(2E,4Z,6Z)-3-methylocta-2,4,6-trien-2-yl]acetamide (CID 166970905) is N-[(2E,4Z,6Z)-3-methylocta-2,4,6-trien-2-yl]acetamide.
What is the SMILES notation for N-[(2E,4Z,6Z)-3-methylocta-2,4,6-trien-2-yl]acetamide?
The canonical SMILES for N-[(2E,4Z,6Z)-3-methylocta-2,4,6-trien-2-yl]acetamide is C/C=C\C=C/C(C)=C(\C)NC(C)=O.
What is the InChIKey of N-[(2E,4Z,6Z)-3-methylocta-2,4,6-trien-2-yl]acetamide?
The InChIKey is LKZUMPPVXVYPIM-YXABPGESSA-N. The full InChI is InChI=1S/C11H17NO/c1-5-6-7-8-9(2)10(3)12-11(4)13/h5-8H,1-4H3,(H,12,13)/b6-5-,8-7-,10-9+.
What are the key properties of N-[(2E,4Z,6Z)-3-methylocta-2,4,6-trien-2-yl]acetamide?
N-[(2E,4Z,6Z)-3-methylocta-2,4,6-trien-2-yl]acetamide has a molecular weight of 179.26 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z,6Z)-3-methylocta-2,4,6-trien-2-yl]acetamide is sourced from PubChem (CID 166970905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).