(2E,4Z)-2-[(E)-3-aminoprop-1-enyl]hexa-2,4-dienamide

C9H14N2O — CID 166872953

IUPAC(2E,4Z)-2-[(E)-3-aminoprop-1-enyl]hexa-2,4-dienamide
SMILESC/C=C\C=C(/C=C/CN)C(N)=O
InChIInChI=1S/C9H14N2O/c1-2-3-5-8(9(11)12)6-4-7-10/h2-6H,7,10H2,1H3,(H2,11,12)/b3-2-,6-4+,8-5+
InChIKeyASQFWJJZNUMSLG-PDDMAJEVSA-N
MW166.22 g/mol
LogP0.49
Rot. Bonds4

About (2E,4Z)-2-[(E)-3-aminoprop-1-enyl]hexa-2,4-dienamide

(2E,4Z)-2-[(E)-3-aminoprop-1-enyl]hexa-2,4-dienamide (PubChem CID 166872953) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is (2E,4Z)-2-[(E)-3-aminoprop-1-enyl]hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4Z)-2-[(E)-3-aminoprop-1-enyl]hexa-2,4-dienamide
PubChem CID166872953
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name(2E,4Z)-2-[(E)-3-aminoprop-1-enyl]hexa-2,4-dienamide
SMILESC/C=C\C=C(/C=C/CN)C(N)=O
InChIInChI=1S/C9H14N2O/c1-2-3-5-8(9(11)12)6-4-7-10/h2-6H,7,10H2,1H3,(H2,11,12)/b3-2-,6-4+,8-5+
InChIKeyASQFWJJZNUMSLG-PDDMAJEVSA-N
XLogP0.49
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.49
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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Related Compounds

2-prop-1-enyltetradeca-2,4,7,9,11-pentaenamide
CID 140757697
4-aminobut-2-enamide;hydrochloride
CID 171148089
(Z,2E)-2-ethylidene-5-(methylamino)pent-3-enamide
CID 143480404
acetamide;(4E,6E)-4-[(Z)-prop-1-enyl]nona-4,6-dien-3-one
CID 143358490
(2E,4Z)-hexa-2,4-diene-1,2-diamine
CID 89088938
15-pentadecyl-2-trideca-1,3,5,7,9,11-hexaenylhexadeca-2,4,6,8,10,12-hexaenediamide
CID 131986635
2-methoxyethyl (Z)-4-aminobut-2-enoate
CID 124635031
methyl (2E,4E)-2-[(Z)-prop-1-enyl]hexa-2,4-dienoate
CID 143172272
(2E,6Z,8E)-deca-2,6,8-trienamide
CID 87690311
(2Z,4E,6E)-octa-2,4,6-trien-4-amine
CID 89113450
(E)-4-aminobut-2-enethioic S-acid
CID 139537868
N-[3-but-1-enyl-2-(methylideneamino)hepta-1,3,5-trienyl]methanimine
CID 91282112

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-2-[(E)-3-aminoprop-1-enyl]hexa-2,4-dienamide?
The IUPAC name of (2E,4Z)-2-[(E)-3-aminoprop-1-enyl]hexa-2,4-dienamide (CID 166872953) is (2E,4Z)-2-[(E)-3-aminoprop-1-enyl]hexa-2,4-dienamide.
What is the SMILES notation for (2E,4Z)-2-[(E)-3-aminoprop-1-enyl]hexa-2,4-dienamide?
The canonical SMILES for (2E,4Z)-2-[(E)-3-aminoprop-1-enyl]hexa-2,4-dienamide is C/C=C\C=C(/C=C/CN)C(N)=O.
What is the InChIKey of (2E,4Z)-2-[(E)-3-aminoprop-1-enyl]hexa-2,4-dienamide?
The InChIKey is ASQFWJJZNUMSLG-PDDMAJEVSA-N. The full InChI is InChI=1S/C9H14N2O/c1-2-3-5-8(9(11)12)6-4-7-10/h2-6H,7,10H2,1H3,(H2,11,12)/b3-2-,6-4+,8-5+.
What are the key properties of (2E,4Z)-2-[(E)-3-aminoprop-1-enyl]hexa-2,4-dienamide?
(2E,4Z)-2-[(E)-3-aminoprop-1-enyl]hexa-2,4-dienamide has a molecular weight of 166.22 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-2-[(E)-3-aminoprop-1-enyl]hexa-2,4-dienamide is sourced from PubChem (CID 166872953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).