1-hydroxy-5-methylideneazocane

C8H15NO — CID 89259036

IUPAC1-hydroxy-5-methylideneazocane
SMILESC=C1CCCN(O)CCC1
InChIInChI=1S/C8H15NO/c1-8-4-2-6-9(10)7-3-5-8/h10H,1-7H2
InChIKeyIGPJKUMXVZTIBN-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.81
Rot. Bonds

About 1-hydroxy-5-methylideneazocane

1-hydroxy-5-methylideneazocane (PubChem CID 89259036) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-hydroxy-5-methylideneazocane.

Molecular Properties

Compound Name1-hydroxy-5-methylideneazocane
PubChem CID89259036
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-hydroxy-5-methylideneazocane
SMILESC=C1CCCN(O)CCC1
InChIInChI=1S/C8H15NO/c1-8-4-2-6-9(10)7-3-5-8/h10H,1-7H2
InChIKeyIGPJKUMXVZTIBN-UHFFFAOYSA-N
XLogP1.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-5-methylideneazocane?
The IUPAC name of 1-hydroxy-5-methylideneazocane (CID 89259036) is 1-hydroxy-5-methylideneazocane.
What is the SMILES notation for 1-hydroxy-5-methylideneazocane?
The canonical SMILES for 1-hydroxy-5-methylideneazocane is C=C1CCCN(O)CCC1.
What is the InChIKey of 1-hydroxy-5-methylideneazocane?
The InChIKey is IGPJKUMXVZTIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-8-4-2-6-9(10)7-3-5-8/h10H,1-7H2.
What are the key properties of 1-hydroxy-5-methylideneazocane?
1-hydroxy-5-methylideneazocane has a molecular weight of 141.21 g/mol, XLogP of 1.81, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-5-methylideneazocane is sourced from PubChem (CID 89259036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).