N-[(3E,5E)-5-aminoocta-1,3,5,7-tetraen-4-yl]prop-2-enamide

C11H14N2O — CID 126549350

IUPACN-[(3E,5E)-5-aminoocta-1,3,5,7-tetraen-4-yl]prop-2-enamide
SMILESC=C/C=C(N)\C(=C/C=C)NC(=O)C=C
InChIInChI=1S/C11H14N2O/c1-4-7-9(12)10(8-5-2)13-11(14)6-3/h4-8H,1-3,12H2,(H,13,14)/b9-7+,10-8+
InChIKeyAHUXXEXKXLCAKF-FIFLTTCUSA-N
MW190.25 g/mol
LogP1.39
Rot. Bonds5

About N-[(3E,5E)-5-aminoocta-1,3,5,7-tetraen-4-yl]prop-2-enamide

N-[(3E,5E)-5-aminoocta-1,3,5,7-tetraen-4-yl]prop-2-enamide (PubChem CID 126549350) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is N-[(3E,5E)-5-aminoocta-1,3,5,7-tetraen-4-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[(3E,5E)-5-aminoocta-1,3,5,7-tetraen-4-yl]prop-2-enamide
PubChem CID126549350
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC NameN-[(3E,5E)-5-aminoocta-1,3,5,7-tetraen-4-yl]prop-2-enamide
SMILESC=C/C=C(N)\C(=C/C=C)NC(=O)C=C
InChIInChI=1S/C11H14N2O/c1-4-7-9(12)10(8-5-2)13-11(14)6-3/h4-8H,1-3,12H2,(H,13,14)/b9-7+,10-8+
InChIKeyAHUXXEXKXLCAKF-FIFLTTCUSA-N
XLogP1.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 N-[(3E,5E)-5-aminoocta-1,3,5,7-tetraen-4-yl]prop-2-enamide?
The IUPAC name of N-[(3E,5E)-5-aminoocta-1,3,5,7-tetraen-4-yl]prop-2-enamide (CID 126549350) is N-[(3E,5E)-5-aminoocta-1,3,5,7-tetraen-4-yl]prop-2-enamide.
What is the SMILES notation for N-[(3E,5E)-5-aminoocta-1,3,5,7-tetraen-4-yl]prop-2-enamide?
The canonical SMILES for N-[(3E,5E)-5-aminoocta-1,3,5,7-tetraen-4-yl]prop-2-enamide is C=C/C=C(N)\C(=C/C=C)NC(=O)C=C.
What is the InChIKey of N-[(3E,5E)-5-aminoocta-1,3,5,7-tetraen-4-yl]prop-2-enamide?
The InChIKey is AHUXXEXKXLCAKF-FIFLTTCUSA-N. The full InChI is InChI=1S/C11H14N2O/c1-4-7-9(12)10(8-5-2)13-11(14)6-3/h4-8H,1-3,12H2,(H,13,14)/b9-7+,10-8+.
What are the key properties of N-[(3E,5E)-5-aminoocta-1,3,5,7-tetraen-4-yl]prop-2-enamide?
N-[(3E,5E)-5-aminoocta-1,3,5,7-tetraen-4-yl]prop-2-enamide has a molecular weight of 190.25 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,5E)-5-aminoocta-1,3,5,7-tetraen-4-yl]prop-2-enamide is sourced from PubChem (CID 126549350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).