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

C8H15NO2 — CID 22899052

IUPAC(9Z)-1,7-dioxa-4-azacycloundec-9-ene
SMILESC1=C\COCCNCCOC/1
InChIInChI=1S/C8H15NO2/c1-2-6-11-8-4-9-3-7-10-5-1/h1-2,9H,3-8H2/b2-1-
InChIKeyCNOPTKRSLAJMSZ-UPHRSURJSA-N
MW157.21 g/mol
LogP0.18
Rot. Bonds

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

(9Z)-1,7-dioxa-4-azacycloundec-9-ene (PubChem CID 22899052) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (9Z)-1,7-dioxa-4-azacycloundec-9-ene.

Molecular Properties

Compound Name(9Z)-1,7-dioxa-4-azacycloundec-9-ene
PubChem CID22899052
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(9Z)-1,7-dioxa-4-azacycloundec-9-ene
SMILESC1=C\COCCNCCOC/1
InChIInChI=1S/C8H15NO2/c1-2-6-11-8-4-9-3-7-10-5-1/h1-2,9H,3-8H2/b2-1-
InChIKeyCNOPTKRSLAJMSZ-UPHRSURJSA-N
XLogP0.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (9Z)-1,7-dioxa-4-azacycloundec-9-ene?
The IUPAC name of (9Z)-1,7-dioxa-4-azacycloundec-9-ene (CID 22899052) is (9Z)-1,7-dioxa-4-azacycloundec-9-ene.
What is the SMILES notation for (9Z)-1,7-dioxa-4-azacycloundec-9-ene?
The canonical SMILES for (9Z)-1,7-dioxa-4-azacycloundec-9-ene is C1=C\COCCNCCOC/1.
What is the InChIKey of (9Z)-1,7-dioxa-4-azacycloundec-9-ene?
The InChIKey is CNOPTKRSLAJMSZ-UPHRSURJSA-N. The full InChI is InChI=1S/C8H15NO2/c1-2-6-11-8-4-9-3-7-10-5-1/h1-2,9H,3-8H2/b2-1-.
What are the key properties of (9Z)-1,7-dioxa-4-azacycloundec-9-ene?
(9Z)-1,7-dioxa-4-azacycloundec-9-ene has a molecular weight of 157.21 g/mol, XLogP of 0.18, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z)-1,7-dioxa-4-azacycloundec-9-ene is sourced from PubChem (CID 22899052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).