2-amino-N-hexa-1,3,5-trien-3-ylacetamide

C8H12N2O — CID 123522269

IUPAC2-amino-N-hexa-1,3,5-trien-3-ylacetamide
SMILESC=CC=C(C=C)NC(=O)CN
InChIInChI=1S/C8H12N2O/c1-3-5-7(4-2)10-8(11)6-9/h3-5H,1-2,6,9H2,(H,10,11)
InChIKeyXNGQNYKYJDFZCX-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.32
Rot. Bonds4

About 2-amino-N-hexa-1,3,5-trien-3-ylacetamide

2-amino-N-hexa-1,3,5-trien-3-ylacetamide (PubChem CID 123522269) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-amino-N-hexa-1,3,5-trien-3-ylacetamide.

Molecular Properties

Compound Name2-amino-N-hexa-1,3,5-trien-3-ylacetamide
PubChem CID123522269
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2-amino-N-hexa-1,3,5-trien-3-ylacetamide
SMILESC=CC=C(C=C)NC(=O)CN
InChIInChI=1S/C8H12N2O/c1-3-5-7(4-2)10-8(11)6-9/h3-5H,1-2,6,9H2,(H,10,11)
InChIKeyXNGQNYKYJDFZCX-UHFFFAOYSA-N
XLogP0.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.32
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

6-(Aminomethyl)-2(1H)-pyridinone
CID 13563588
2-(2-fluoroethylamino)-N-[(2E,4Z,6Z)-octa-2,4,6-trien-3-yl]acetamide
CID 142402250
N'-[(2E)-4-(2,2,2-trifluoroethylamino)penta-2,4-dienyl]oxamide
CID 171822303
6-(Aminomethyl)pyridin-2(1H)-one hydrobromide
CID 13563589
6-(Aminomethyl)pyridin-2(1H)-one hydrochloride
CID 21243522
N-[2-(buta-1,3-dien-2-ylamino)ethyl]prop-2-enamide
CID 57540432
2-[[(1Z,3Z)-1-aminopenta-1,3-dien-2-yl]amino]acetamide
CID 88267830
N-[(3Z,5E)-5-(methylamino)hepta-1,3,5-trien-2-yl]acetamide
CID 88356988
N-[(3Z,5E)-6-amino-5-(methylamino)hexa-1,3,5-trien-2-yl]acetamide
CID 89341013
N-[(3E)-3-aminohexa-1,3,5-trien-2-yl]acetamide
CID 117932089
N-[(1Z,3E)-1-aminohexa-1,3,5-trien-3-yl]acetamide
CID 122679488
N-[(3E,5E)-5-aminoocta-1,3,5,7-tetraen-4-yl]prop-2-enamide
CID 126549350

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-hexa-1,3,5-trien-3-ylacetamide?
The IUPAC name of 2-amino-N-hexa-1,3,5-trien-3-ylacetamide (CID 123522269) is 2-amino-N-hexa-1,3,5-trien-3-ylacetamide.
What is the SMILES notation for 2-amino-N-hexa-1,3,5-trien-3-ylacetamide?
The canonical SMILES for 2-amino-N-hexa-1,3,5-trien-3-ylacetamide is C=CC=C(C=C)NC(=O)CN.
What is the InChIKey of 2-amino-N-hexa-1,3,5-trien-3-ylacetamide?
The InChIKey is XNGQNYKYJDFZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-3-5-7(4-2)10-8(11)6-9/h3-5H,1-2,6,9H2,(H,10,11).
What are the key properties of 2-amino-N-hexa-1,3,5-trien-3-ylacetamide?
2-amino-N-hexa-1,3,5-trien-3-ylacetamide has a molecular weight of 152.20 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-hexa-1,3,5-trien-3-ylacetamide is sourced from PubChem (CID 123522269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).