(12Z)-1-azacyclononadec-12-en-2-ol

C18H35NO — CID 70954921

IUPAC(12Z)-1-azacyclononadec-12-en-2-ol
SMILESOC1CCCCCCCCC/C=C\CCCCCCN1
InChIInChI=1S/C18H35NO/c20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-18/h3,5,18-20H,1-2,4,6-17H2/b5-3-
InChIKeyXXIOSARCJDLDQA-HYXAFXHYSA-N
MW281.48 g/mol
LogP4.93
Rot. Bonds

About (12Z)-1-azacyclononadec-12-en-2-ol

(12Z)-1-azacyclononadec-12-en-2-ol (PubChem CID 70954921) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is (12Z)-1-azacyclononadec-12-en-2-ol.

Molecular Properties

Compound Name(12Z)-1-azacyclononadec-12-en-2-ol
PubChem CID70954921
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name(12Z)-1-azacyclononadec-12-en-2-ol
SMILESOC1CCCCCCCCC/C=C\CCCCCCN1
InChIInChI=1S/C18H35NO/c20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-18/h3,5,18-20H,1-2,4,6-17H2/b5-3-
InChIKeyXXIOSARCJDLDQA-HYXAFXHYSA-N
XLogP4.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.93
H-Bond Donors ≤ 52
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 (12Z)-1-azacyclononadec-12-en-2-ol?
The IUPAC name of (12Z)-1-azacyclononadec-12-en-2-ol (CID 70954921) is (12Z)-1-azacyclononadec-12-en-2-ol.
What is the SMILES notation for (12Z)-1-azacyclononadec-12-en-2-ol?
The canonical SMILES for (12Z)-1-azacyclononadec-12-en-2-ol is OC1CCCCCCCCC/C=C\CCCCCCN1.
What is the InChIKey of (12Z)-1-azacyclononadec-12-en-2-ol?
The InChIKey is XXIOSARCJDLDQA-HYXAFXHYSA-N. The full InChI is InChI=1S/C18H35NO/c20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-18/h3,5,18-20H,1-2,4,6-17H2/b5-3-.
What are the key properties of (12Z)-1-azacyclononadec-12-en-2-ol?
(12Z)-1-azacyclononadec-12-en-2-ol has a molecular weight of 281.48 g/mol, XLogP of 4.93, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (12Z)-1-azacyclononadec-12-en-2-ol is sourced from PubChem (CID 70954921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).