N-[(3E,5E)-6-aminohexa-1,3,5-trien-3-yl]acetamide

C8H12N2O — CID 142251913

IUPACN-[(3E,5E)-6-aminohexa-1,3,5-trien-3-yl]acetamide
SMILESC=C/C(=C\C=C\N)NC(C)=O
InChIInChI=1S/C8H12N2O/c1-3-8(5-4-6-9)10-7(2)11/h3-6H,1,9H2,2H3,(H,10,11)/b6-4+,8-5+
InChIKeyIWZNENYABSHCED-HLQBBKRNSA-N
MW152.20 g/mol
LogP0.66
Rot. Bonds3

About N-[(3E,5E)-6-aminohexa-1,3,5-trien-3-yl]acetamide

N-[(3E,5E)-6-aminohexa-1,3,5-trien-3-yl]acetamide (PubChem CID 142251913) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is N-[(3E,5E)-6-aminohexa-1,3,5-trien-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3E,5E)-6-aminohexa-1,3,5-trien-3-yl]acetamide
PubChem CID142251913
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC NameN-[(3E,5E)-6-aminohexa-1,3,5-trien-3-yl]acetamide
SMILESC=C/C(=C\C=C\N)NC(C)=O
InChIInChI=1S/C8H12N2O/c1-3-8(5-4-6-9)10-7(2)11/h3-6H,1,9H2,2H3,(H,10,11)/b6-4+,8-5+
InChIKeyIWZNENYABSHCED-HLQBBKRNSA-N
XLogP0.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3E)-penta-1,3-dien-3-yl]acetamide
CID 44386440
N-[(3E)-2-fluorohexa-1,3,5-trien-3-yl]acetamide
CID 122651083
N-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]acetamide
CID 129044140
N-[(3E,5Z)-7-fluorohepta-1,3,5-trien-4-yl]acetamide
CID 142251873
N-[(3E)-3-fluoro-4-(prop-2-enylamino)buta-1,3-dien-2-yl]acetamide
CID 164097767
palladium;N-phenylacetamide
CID 134952113
lithium N-phenylacetamide
CID 139213726
N-[(3E)-5-fluorohexa-1,3,5-trien-3-yl]acetamide
CID 141929066
N-(1,2-dihydropyridin-5-yl)acetamide
CID 23047672
N-penta-1,3-dien-3-ylacetamide
CID 53752208
N-phenylacetamide;tungsten
CID 57666764
N-phenylacetamide;yttrium
CID 57859270

Frequently Asked Questions

What is the IUPAC name of N-[(3E,5E)-6-aminohexa-1,3,5-trien-3-yl]acetamide?
The IUPAC name of N-[(3E,5E)-6-aminohexa-1,3,5-trien-3-yl]acetamide (CID 142251913) is N-[(3E,5E)-6-aminohexa-1,3,5-trien-3-yl]acetamide.
What is the SMILES notation for N-[(3E,5E)-6-aminohexa-1,3,5-trien-3-yl]acetamide?
The canonical SMILES for N-[(3E,5E)-6-aminohexa-1,3,5-trien-3-yl]acetamide is C=C/C(=C\C=C\N)NC(C)=O.
What is the InChIKey of N-[(3E,5E)-6-aminohexa-1,3,5-trien-3-yl]acetamide?
The InChIKey is IWZNENYABSHCED-HLQBBKRNSA-N. The full InChI is InChI=1S/C8H12N2O/c1-3-8(5-4-6-9)10-7(2)11/h3-6H,1,9H2,2H3,(H,10,11)/b6-4+,8-5+.
What are the key properties of N-[(3E,5E)-6-aminohexa-1,3,5-trien-3-yl]acetamide?
N-[(3E,5E)-6-aminohexa-1,3,5-trien-3-yl]acetamide has a molecular weight of 152.20 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,5E)-6-aminohexa-1,3,5-trien-3-yl]acetamide is sourced from PubChem (CID 142251913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).