2-[(Z)-but-1-enyl]iminobut-3-en-1-ol

C8H13NO — CID 126762670

IUPAC2-[(Z)-but-1-enyl]iminobut-3-en-1-ol
SMILESC=C/C(CO)=N\C=C/CC
InChIInChI=1S/C8H13NO/c1-3-5-6-9-8(4-2)7-10/h4-6,10H,2-3,7H2,1H3/b6-5-,9-8+
InChIKeyOHGSIMJWGLYYMA-UEPDSTOUSA-N
MW139.20 g/mol
LogP1.53
Rot. Bonds4

About 2-[(Z)-but-1-enyl]iminobut-3-en-1-ol

2-[(Z)-but-1-enyl]iminobut-3-en-1-ol (PubChem CID 126762670) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-[(Z)-but-1-enyl]iminobut-3-en-1-ol.

Molecular Properties

Compound Name2-[(Z)-but-1-enyl]iminobut-3-en-1-ol
PubChem CID126762670
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-[(Z)-but-1-enyl]iminobut-3-en-1-ol
SMILESC=C/C(CO)=N\C=C/CC
InChIInChI=1S/C8H13NO/c1-3-5-6-9-8(4-2)7-10/h4-6,10H,2-3,7H2,1H3/b6-5-,9-8+
InChIKeyOHGSIMJWGLYYMA-UEPDSTOUSA-N
XLogP1.53
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-but-1-enyl]iminobut-3-en-1-ol?
The IUPAC name of 2-[(Z)-but-1-enyl]iminobut-3-en-1-ol (CID 126762670) is 2-[(Z)-but-1-enyl]iminobut-3-en-1-ol.
What is the SMILES notation for 2-[(Z)-but-1-enyl]iminobut-3-en-1-ol?
The canonical SMILES for 2-[(Z)-but-1-enyl]iminobut-3-en-1-ol is C=C/C(CO)=N\C=C/CC.
What is the InChIKey of 2-[(Z)-but-1-enyl]iminobut-3-en-1-ol?
The InChIKey is OHGSIMJWGLYYMA-UEPDSTOUSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-5-6-9-8(4-2)7-10/h4-6,10H,2-3,7H2,1H3/b6-5-,9-8+.
What are the key properties of 2-[(Z)-but-1-enyl]iminobut-3-en-1-ol?
2-[(Z)-but-1-enyl]iminobut-3-en-1-ol has a molecular weight of 139.20 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-but-1-enyl]iminobut-3-en-1-ol is sourced from PubChem (CID 126762670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).