(2Z,4E)-N-[(1S)-1-hydroxyethyl]hexa-2,4-dienamide

C8H13NO2 — CID 134844845

IUPAC(2Z,4E)-N-[(1S)-1-hydroxyethyl]hexa-2,4-dienamide
SMILESC/C=C/C=C\C(=O)N[C@H](C)O
InChIInChI=1S/C8H13NO2/c1-3-4-5-6-8(11)9-7(2)10/h3-7,10H,1-2H3,(H,9,11)/b4-3+,6-5-/t7-/m0/s1
InChIKeyHVXQOUKOVVWEAJ-LRSRSJHMSA-N
MW155.20 g/mol
LogP0.57
Rot. Bonds3

About (2Z,4E)-N-[(1S)-1-hydroxyethyl]hexa-2,4-dienamide

(2Z,4E)-N-[(1S)-1-hydroxyethyl]hexa-2,4-dienamide (PubChem CID 134844845) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (2Z,4E)-N-[(1S)-1-hydroxyethyl]hexa-2,4-dienamide.

Molecular Properties

Compound Name(2Z,4E)-N-[(1S)-1-hydroxyethyl]hexa-2,4-dienamide
PubChem CID134844845
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(2Z,4E)-N-[(1S)-1-hydroxyethyl]hexa-2,4-dienamide
SMILESC/C=C/C=C\C(=O)N[C@H](C)O
InChIInChI=1S/C8H13NO2/c1-3-4-5-6-8(11)9-7(2)10/h3-7,10H,1-2H3,(H,9,11)/b4-3+,6-5-/t7-/m0/s1
InChIKeyHVXQOUKOVVWEAJ-LRSRSJHMSA-N
XLogP0.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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 (2Z,4E)-N-[(1S)-1-hydroxyethyl]hexa-2,4-dienamide?
The IUPAC name of (2Z,4E)-N-[(1S)-1-hydroxyethyl]hexa-2,4-dienamide (CID 134844845) is (2Z,4E)-N-[(1S)-1-hydroxyethyl]hexa-2,4-dienamide.
What is the SMILES notation for (2Z,4E)-N-[(1S)-1-hydroxyethyl]hexa-2,4-dienamide?
The canonical SMILES for (2Z,4E)-N-[(1S)-1-hydroxyethyl]hexa-2,4-dienamide is C/C=C/C=C\C(=O)N[C@H](C)O.
What is the InChIKey of (2Z,4E)-N-[(1S)-1-hydroxyethyl]hexa-2,4-dienamide?
The InChIKey is HVXQOUKOVVWEAJ-LRSRSJHMSA-N. The full InChI is InChI=1S/C8H13NO2/c1-3-4-5-6-8(11)9-7(2)10/h3-7,10H,1-2H3,(H,9,11)/b4-3+,6-5-/t7-/m0/s1.
What are the key properties of (2Z,4E)-N-[(1S)-1-hydroxyethyl]hexa-2,4-dienamide?
(2Z,4E)-N-[(1S)-1-hydroxyethyl]hexa-2,4-dienamide has a molecular weight of 155.20 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-N-[(1S)-1-hydroxyethyl]hexa-2,4-dienamide is sourced from PubChem (CID 134844845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).