N-[(3E)-hexa-1,3,5-trien-3-yl]-2-methoxyacetamide

C9H13NO2 — CID 143389329

IUPACN-[(3E)-hexa-1,3,5-trien-3-yl]-2-methoxyacetamide
SMILESC=C/C=C(\C=C)NC(=O)COC
InChIInChI=1S/C9H13NO2/c1-4-6-8(5-2)10-9(11)7-12-3/h4-6H,1-2,7H2,3H3,(H,10,11)/b8-6+
InChIKeyGMFQGMUJQBYKIJ-SOFGYWHQSA-N
MW167.21 g/mol
LogP1.00
Rot. Bonds5

About N-[(3E)-hexa-1,3,5-trien-3-yl]-2-methoxyacetamide

N-[(3E)-hexa-1,3,5-trien-3-yl]-2-methoxyacetamide (PubChem CID 143389329) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is N-[(3E)-hexa-1,3,5-trien-3-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(3E)-hexa-1,3,5-trien-3-yl]-2-methoxyacetamide
PubChem CID143389329
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC NameN-[(3E)-hexa-1,3,5-trien-3-yl]-2-methoxyacetamide
SMILESC=C/C=C(\C=C)NC(=O)COC
InChIInChI=1S/C9H13NO2/c1-4-6-8(5-2)10-9(11)7-12-3/h4-6H,1-2,7H2,3H3,(H,10,11)/b8-6+
InChIKeyGMFQGMUJQBYKIJ-SOFGYWHQSA-N
XLogP1.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3E)-hexa-1,3,5-trien-3-yl]propanamide;propane
CID 143474945
N-[(3E)-hexa-1,3,5-trien-3-yl]propanamide;molecular hydrogen
CID 143474971
4-formamido-N-[(3E)-hexa-1,3,5-trien-3-yl]pent-4-enamide
CID 142586076
[(3E)-hexa-1,3,5-trien-3-yl]urea
CID 143228458
3-amino-4,4,4-trifluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]butanamide
CID 143657670
ethane;methyl 1-[2-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-2-oxoethyl]pyridin-1-ium-3-carboxylate
CID 143578490
N-ethanethioyl-2-methoxyacetamide
CID 140553789
2-[[(3E)-hexa-1,3,5-trien-3-yl]amino]acetic acid
CID 144971158
N-fluoro-2-methoxyacetamide
CID 59335518
ethane;1-N'-[(3E)-hexa-1,3,5-trien-3-yl]cyclopropane-1,1-dicarboxamide
CID 143768486
(3E,5E)-N-ethyl-6-(methoxymethyl)octa-1,3,5,7-tetraen-3-amine
CID 155283556
1-[(3E)-hexa-1,3,5-trien-3-yl]-3-(2,2,4,4-tetramethylcyclobutyl)urea
CID 166980964

Frequently Asked Questions

What is the IUPAC name of N-[(3E)-hexa-1,3,5-trien-3-yl]-2-methoxyacetamide?
The IUPAC name of N-[(3E)-hexa-1,3,5-trien-3-yl]-2-methoxyacetamide (CID 143389329) is N-[(3E)-hexa-1,3,5-trien-3-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[(3E)-hexa-1,3,5-trien-3-yl]-2-methoxyacetamide?
The canonical SMILES for N-[(3E)-hexa-1,3,5-trien-3-yl]-2-methoxyacetamide is C=C/C=C(\C=C)NC(=O)COC.
What is the InChIKey of N-[(3E)-hexa-1,3,5-trien-3-yl]-2-methoxyacetamide?
The InChIKey is GMFQGMUJQBYKIJ-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H13NO2/c1-4-6-8(5-2)10-9(11)7-12-3/h4-6H,1-2,7H2,3H3,(H,10,11)/b8-6+.
What are the key properties of N-[(3E)-hexa-1,3,5-trien-3-yl]-2-methoxyacetamide?
N-[(3E)-hexa-1,3,5-trien-3-yl]-2-methoxyacetamide has a molecular weight of 167.21 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-hexa-1,3,5-trien-3-yl]-2-methoxyacetamide is sourced from PubChem (CID 143389329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).