2-amino-N-[(3E)-5-methoxyhexa-3,5-dienyl]-3-oxoprop-2-enamide

C10H14N2O3 — CID 176543675

IUPAC2-amino-N-[(3E)-5-methoxyhexa-3,5-dienyl]-3-oxoprop-2-enamide
SMILESC=C(/C=C/CCNC(=O)C(N)=C=O)OC
InChIInChI=1S/C10H14N2O3/c1-8(15-2)5-3-4-6-12-10(14)9(11)7-13/h3,5H,1,4,6,11H2,2H3,(H,12,14)/b5-3+
InChIKeyISKLZMSHDWWHSG-HWKANZROSA-N
MW210.23 g/mol
LogP-0.12
Rot. Bonds6

About 2-amino-N-[(3E)-5-methoxyhexa-3,5-dienyl]-3-oxoprop-2-enamide

2-amino-N-[(3E)-5-methoxyhexa-3,5-dienyl]-3-oxoprop-2-enamide (PubChem CID 176543675) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-amino-N-[(3E)-5-methoxyhexa-3,5-dienyl]-3-oxoprop-2-enamide.

Molecular Properties

Compound Name2-amino-N-[(3E)-5-methoxyhexa-3,5-dienyl]-3-oxoprop-2-enamide
PubChem CID176543675
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-amino-N-[(3E)-5-methoxyhexa-3,5-dienyl]-3-oxoprop-2-enamide
SMILESC=C(/C=C/CCNC(=O)C(N)=C=O)OC
InChIInChI=1S/C10H14N2O3/c1-8(15-2)5-3-4-6-12-10(14)9(11)7-13/h3,5H,1,4,6,11H2,2H3,(H,12,14)/b5-3+
InChIKeyISKLZMSHDWWHSG-HWKANZROSA-N
XLogP-0.12
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'ketene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3E)-5-methoxyhexa-3,5-dienyl]-3-oxoprop-2-enamide?
The IUPAC name of 2-amino-N-[(3E)-5-methoxyhexa-3,5-dienyl]-3-oxoprop-2-enamide (CID 176543675) is 2-amino-N-[(3E)-5-methoxyhexa-3,5-dienyl]-3-oxoprop-2-enamide.
What is the SMILES notation for 2-amino-N-[(3E)-5-methoxyhexa-3,5-dienyl]-3-oxoprop-2-enamide?
The canonical SMILES for 2-amino-N-[(3E)-5-methoxyhexa-3,5-dienyl]-3-oxoprop-2-enamide is C=C(/C=C/CCNC(=O)C(N)=C=O)OC.
What is the InChIKey of 2-amino-N-[(3E)-5-methoxyhexa-3,5-dienyl]-3-oxoprop-2-enamide?
The InChIKey is ISKLZMSHDWWHSG-HWKANZROSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-8(15-2)5-3-4-6-12-10(14)9(11)7-13/h3,5H,1,4,6,11H2,2H3,(H,12,14)/b5-3+.
What are the key properties of 2-amino-N-[(3E)-5-methoxyhexa-3,5-dienyl]-3-oxoprop-2-enamide?
2-amino-N-[(3E)-5-methoxyhexa-3,5-dienyl]-3-oxoprop-2-enamide has a molecular weight of 210.23 g/mol, XLogP of -0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3E)-5-methoxyhexa-3,5-dienyl]-3-oxoprop-2-enamide is sourced from PubChem (CID 176543675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).