6-methyliminohex-2-en-1-ol

C7H13NO — CID 123443683

IUPAC6-methyliminohex-2-en-1-ol
SMILESC/N=C/CCC=CCO
InChIInChI=1S/C7H13NO/c1-8-6-4-2-3-5-7-9/h3,5-6,9H,2,4,7H2,1H3/b5-3?,8-6+
InChIKeyWDXLVGLQYSHUMV-NIXDYCKDSA-N
MW127.19 g/mol
LogP1.02
Rot. Bonds4

About 6-methyliminohex-2-en-1-ol

6-methyliminohex-2-en-1-ol (PubChem CID 123443683) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 6-methyliminohex-2-en-1-ol.

Molecular Properties

Compound Name6-methyliminohex-2-en-1-ol
PubChem CID123443683
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name6-methyliminohex-2-en-1-ol
SMILESC/N=C/CCC=CCO
InChIInChI=1S/C7H13NO/c1-8-6-4-2-3-5-7-9/h3,5-6,9H,2,4,7H2,1H3/b5-3?,8-6+
InChIKeyWDXLVGLQYSHUMV-NIXDYCKDSA-N
XLogP1.02
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-methyliminohex-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyliminohex-2-en-1-ol?
The IUPAC name of 6-methyliminohex-2-en-1-ol (CID 123443683) is 6-methyliminohex-2-en-1-ol.
What is the SMILES notation for 6-methyliminohex-2-en-1-ol?
The canonical SMILES for 6-methyliminohex-2-en-1-ol is C/N=C/CCC=CCO.
What is the InChIKey of 6-methyliminohex-2-en-1-ol?
The InChIKey is WDXLVGLQYSHUMV-NIXDYCKDSA-N. The full InChI is InChI=1S/C7H13NO/c1-8-6-4-2-3-5-7-9/h3,5-6,9H,2,4,7H2,1H3/b5-3?,8-6+.
What are the key properties of 6-methyliminohex-2-en-1-ol?
6-methyliminohex-2-en-1-ol has a molecular weight of 127.19 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyliminohex-2-en-1-ol is sourced from PubChem (CID 123443683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).