(4Z,7Z)-3,6,6-trimethylazocin-3-ol

C10H15NO — CID 142133413

IUPAC(4Z,7Z)-3,6,6-trimethylazocin-3-ol
SMILESCC1(C)/C=C\N=C/C(C)(O)/C=C\1
InChIInChI=1S/C10H15NO/c1-9(2)4-5-10(3,12)8-11-7-6-9/h4-8,12H,1-3H3/b5-4-,7-6-,11-8-
InChIKeyCSCOXIWHXJUMGY-WUIHLBFQSA-N
MW165.24 g/mol
LogP1.92
Rot. Bonds

About (4Z,7Z)-3,6,6-trimethylazocin-3-ol

(4Z,7Z)-3,6,6-trimethylazocin-3-ol (PubChem CID 142133413) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (4Z,7Z)-3,6,6-trimethylazocin-3-ol.

Molecular Properties

Compound Name(4Z,7Z)-3,6,6-trimethylazocin-3-ol
PubChem CID142133413
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(4Z,7Z)-3,6,6-trimethylazocin-3-ol
SMILESCC1(C)/C=C\N=C/C(C)(O)/C=C\1
InChIInChI=1S/C10H15NO/c1-9(2)4-5-10(3,12)8-11-7-6-9/h4-8,12H,1-3H3/b5-4-,7-6-,11-8-
InChIKeyCSCOXIWHXJUMGY-WUIHLBFQSA-N
XLogP1.92
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.92
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 (4Z,7Z)-3,6,6-trimethylazocin-3-ol?
The IUPAC name of (4Z,7Z)-3,6,6-trimethylazocin-3-ol (CID 142133413) is (4Z,7Z)-3,6,6-trimethylazocin-3-ol.
What is the SMILES notation for (4Z,7Z)-3,6,6-trimethylazocin-3-ol?
The canonical SMILES for (4Z,7Z)-3,6,6-trimethylazocin-3-ol is CC1(C)/C=C\N=C/C(C)(O)/C=C\1.
What is the InChIKey of (4Z,7Z)-3,6,6-trimethylazocin-3-ol?
The InChIKey is CSCOXIWHXJUMGY-WUIHLBFQSA-N. The full InChI is InChI=1S/C10H15NO/c1-9(2)4-5-10(3,12)8-11-7-6-9/h4-8,12H,1-3H3/b5-4-,7-6-,11-8-.
What are the key properties of (4Z,7Z)-3,6,6-trimethylazocin-3-ol?
(4Z,7Z)-3,6,6-trimethylazocin-3-ol has a molecular weight of 165.24 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,7Z)-3,6,6-trimethylazocin-3-ol is sourced from PubChem (CID 142133413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).