(9Z)-1,7-dioxa-4-azoniacycloundec-9-ene

C8H16NO2+ — CID 22899053

IUPAC(9Z)-1,7-dioxa-4-azoniacycloundec-9-ene
SMILESC1=C\COCC[NH2+]CCOC/1
InChIInChI=1S/C8H15NO2/c1-2-6-11-8-4-9-3-7-10-5-1/h1-2,9H,3-8H2/p+1/b2-1-
InChIKeyCNOPTKRSLAJMSZ-UPHRSURJSA-O
MW158.22 g/mol
LogP-0.85
Rot. Bonds

About (9Z)-1,7-dioxa-4-azoniacycloundec-9-ene

(9Z)-1,7-dioxa-4-azoniacycloundec-9-ene (PubChem CID 22899053) has the molecular formula C8H16NO2+ and a molecular weight of 158.22 g/mol. Its IUPAC name is (9Z)-1,7-dioxa-4-azoniacycloundec-9-ene.

Molecular Properties

Compound Name(9Z)-1,7-dioxa-4-azoniacycloundec-9-ene
PubChem CID22899053
Molecular FormulaC8H16NO2+
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Name(9Z)-1,7-dioxa-4-azoniacycloundec-9-ene
SMILESC1=C\COCC[NH2+]CCOC/1
InChIInChI=1S/C8H15NO2/c1-2-6-11-8-4-9-3-7-10-5-1/h1-2,9H,3-8H2/p+1/b2-1-
InChIKeyCNOPTKRSLAJMSZ-UPHRSURJSA-O
XLogP-0.85
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (9Z)-1,7-dioxa-4-azoniacycloundec-9-ene 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 (9Z)-1,7-dioxa-4-azoniacycloundec-9-ene?
The IUPAC name of (9Z)-1,7-dioxa-4-azoniacycloundec-9-ene (CID 22899053) is (9Z)-1,7-dioxa-4-azoniacycloundec-9-ene.
What is the SMILES notation for (9Z)-1,7-dioxa-4-azoniacycloundec-9-ene?
The canonical SMILES for (9Z)-1,7-dioxa-4-azoniacycloundec-9-ene is C1=C\COCC[NH2+]CCOC/1.
What is the InChIKey of (9Z)-1,7-dioxa-4-azoniacycloundec-9-ene?
The InChIKey is CNOPTKRSLAJMSZ-UPHRSURJSA-O. The full InChI is InChI=1S/C8H15NO2/c1-2-6-11-8-4-9-3-7-10-5-1/h1-2,9H,3-8H2/p+1/b2-1-.
What are the key properties of (9Z)-1,7-dioxa-4-azoniacycloundec-9-ene?
(9Z)-1,7-dioxa-4-azoniacycloundec-9-ene has a molecular weight of 158.22 g/mol, XLogP of -0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z)-1,7-dioxa-4-azoniacycloundec-9-ene is sourced from PubChem (CID 22899053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).