ethane;(E)-1-ethyliminobut-2-en-2-ol

C8H17NO — CID 170789162

IUPACethane;(E)-1-ethyliminobut-2-en-2-ol
SMILESC/C=C(O)\C=N\CC.CC
InChIInChI=1S/C6H11NO.C2H6/c1-3-6(8)5-7-4-2;1-2/h3,5,8H,4H2,1-2H3;1-2H3/b6-3+,7-5+;
InChIKeyUXQUVDWPQWKAPP-AEOCNUBDSA-N
MW143.23 g/mol
LogP2.57
Rot. Bonds2

About ethane;(E)-1-ethyliminobut-2-en-2-ol

ethane;(E)-1-ethyliminobut-2-en-2-ol (PubChem CID 170789162) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is ethane;(E)-1-ethyliminobut-2-en-2-ol.

Molecular Properties

Compound Nameethane;(E)-1-ethyliminobut-2-en-2-ol
PubChem CID170789162
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Nameethane;(E)-1-ethyliminobut-2-en-2-ol
SMILESC/C=C(O)\C=N\CC.CC
InChIInChI=1S/C6H11NO.C2H6/c1-3-6(8)5-7-4-2;1-2/h3,5,8H,4H2,1-2H3;1-2H3/b6-3+,7-5+;
InChIKeyUXQUVDWPQWKAPP-AEOCNUBDSA-N
XLogP2.57
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;(E)-1-ethyliminobut-2-en-2-ol?
The IUPAC name of ethane;(E)-1-ethyliminobut-2-en-2-ol (CID 170789162) is ethane;(E)-1-ethyliminobut-2-en-2-ol.
What is the SMILES notation for ethane;(E)-1-ethyliminobut-2-en-2-ol?
The canonical SMILES for ethane;(E)-1-ethyliminobut-2-en-2-ol is C/C=C(O)\C=N\CC.CC.
What is the InChIKey of ethane;(E)-1-ethyliminobut-2-en-2-ol?
The InChIKey is UXQUVDWPQWKAPP-AEOCNUBDSA-N. The full InChI is InChI=1S/C6H11NO.C2H6/c1-3-6(8)5-7-4-2;1-2/h3,5,8H,4H2,1-2H3;1-2H3/b6-3+,7-5+;.
What are the key properties of ethane;(E)-1-ethyliminobut-2-en-2-ol?
ethane;(E)-1-ethyliminobut-2-en-2-ol has a molecular weight of 143.23 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-1-ethyliminobut-2-en-2-ol is sourced from PubChem (CID 170789162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).