(Z,2S,3E)-1-amino-3-ethylidenehex-4-en-2-ol

C8H15NO — CID 126667745

IUPAC(Z,2S,3E)-1-amino-3-ethylidenehex-4-en-2-ol
SMILESC/C=C\C(=C/C)[C@H](O)CN
InChIInChI=1S/C8H15NO/c1-3-5-7(4-2)8(10)6-9/h3-5,8,10H,6,9H2,1-2H3/b5-3-,7-4+/t8-/m1/s1
InChIKeyFPAGGEOBCFFIAW-KEOHZVFPSA-N
MW141.21 g/mol
LogP0.83
Rot. Bonds3

About (Z,2S,3E)-1-amino-3-ethylidenehex-4-en-2-ol

(Z,2S,3E)-1-amino-3-ethylidenehex-4-en-2-ol (PubChem CID 126667745) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (Z,2S,3E)-1-amino-3-ethylidenehex-4-en-2-ol.

Molecular Properties

Compound Name(Z,2S,3E)-1-amino-3-ethylidenehex-4-en-2-ol
PubChem CID126667745
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(Z,2S,3E)-1-amino-3-ethylidenehex-4-en-2-ol
SMILESC/C=C\C(=C/C)[C@H](O)CN
InChIInChI=1S/C8H15NO/c1-3-5-7(4-2)8(10)6-9/h3-5,8,10H,6,9H2,1-2H3/b5-3-,7-4+/t8-/m1/s1
InChIKeyFPAGGEOBCFFIAW-KEOHZVFPSA-N
XLogP0.83
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z,2S,3E)-1-amino-3-ethylidenehex-4-en-2-ol?
The IUPAC name of (Z,2S,3E)-1-amino-3-ethylidenehex-4-en-2-ol (CID 126667745) is (Z,2S,3E)-1-amino-3-ethylidenehex-4-en-2-ol.
What is the SMILES notation for (Z,2S,3E)-1-amino-3-ethylidenehex-4-en-2-ol?
The canonical SMILES for (Z,2S,3E)-1-amino-3-ethylidenehex-4-en-2-ol is C/C=C\C(=C/C)[C@H](O)CN.
What is the InChIKey of (Z,2S,3E)-1-amino-3-ethylidenehex-4-en-2-ol?
The InChIKey is FPAGGEOBCFFIAW-KEOHZVFPSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-5-7(4-2)8(10)6-9/h3-5,8,10H,6,9H2,1-2H3/b5-3-,7-4+/t8-/m1/s1.
What are the key properties of (Z,2S,3E)-1-amino-3-ethylidenehex-4-en-2-ol?
(Z,2S,3E)-1-amino-3-ethylidenehex-4-en-2-ol has a molecular weight of 141.21 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2S,3E)-1-amino-3-ethylidenehex-4-en-2-ol is sourced from PubChem (CID 126667745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).