4-ethenylazepan-4-ol

C8H15NO — CID 103982942

IUPAC4-ethenylazepan-4-ol
SMILESC=CC1(O)CCCNCC1
InChIInChI=1S/C8H15NO/c1-2-8(10)4-3-6-9-7-5-8/h2,9-10H,1,3-7H2
InChIKeyRRGFYSIQOWQVBA-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.68
Rot. Bonds1

About 4-ethenylazepan-4-ol

4-ethenylazepan-4-ol (PubChem CID 103982942) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 4-ethenylazepan-4-ol.

Molecular Properties

Compound Name4-ethenylazepan-4-ol
PubChem CID103982942
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name4-ethenylazepan-4-ol
SMILESC=CC1(O)CCCNCC1
InChIInChI=1S/C8H15NO/c1-2-8(10)4-3-6-9-7-5-8/h2,9-10H,1,3-7H2
InChIKeyRRGFYSIQOWQVBA-UHFFFAOYSA-N
XLogP0.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Prop-2-enylazepan-4-ol
CID 103982838
4-Ethenyl-1-methylazepan-4-ol
CID 65416494
4-Ethenyl-1-ethylazepan-4-ol
CID 65416706
4-Ethenyl-1-propylazepan-4-ol
CID 65416707
4-(2-Methylprop-1-enyl)azepan-4-ol
CID 103982986
4-Prop-1-en-2-ylazepan-4-ol
CID 103983005

Frequently Asked Questions

What is the IUPAC name of 4-ethenylazepan-4-ol?
The IUPAC name of 4-ethenylazepan-4-ol (CID 103982942) is 4-ethenylazepan-4-ol.
What is the SMILES notation for 4-ethenylazepan-4-ol?
The canonical SMILES for 4-ethenylazepan-4-ol is C=CC1(O)CCCNCC1.
What is the InChIKey of 4-ethenylazepan-4-ol?
The InChIKey is RRGFYSIQOWQVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-8(10)4-3-6-9-7-5-8/h2,9-10H,1,3-7H2.
What are the key properties of 4-ethenylazepan-4-ol?
4-ethenylazepan-4-ol has a molecular weight of 141.21 g/mol, XLogP of 0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylazepan-4-ol is sourced from PubChem (CID 103982942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).