(3Z,7Z,10Z)-1-oxa-6-azacyclododeca-3,7,10-triene

C10H15NO — CID 171393716

IUPAC(3Z,7Z,10Z)-1-oxa-6-azacyclododeca-3,7,10-triene
SMILESC1=C\COC/C=C\CN/C=C\C/1
InChIInChI=1S/C10H15NO/c1-2-5-9-12-10-6-4-8-11-7-3-1/h2-7,11H,1,8-10H2/b5-2-,6-4-,7-3-
InChIKeyGQLBHDCEHIKFPY-HDEJGWSNSA-N
MW165.24 g/mol
LogP1.62
Rot. Bonds

About (3Z,7Z,10Z)-1-oxa-6-azacyclododeca-3,7,10-triene

(3Z,7Z,10Z)-1-oxa-6-azacyclododeca-3,7,10-triene (PubChem CID 171393716) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (3Z,7Z,10Z)-1-oxa-6-azacyclododeca-3,7,10-triene.

Molecular Properties

Compound Name(3Z,7Z,10Z)-1-oxa-6-azacyclododeca-3,7,10-triene
PubChem CID171393716
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(3Z,7Z,10Z)-1-oxa-6-azacyclododeca-3,7,10-triene
SMILESC1=C\COC/C=C\CN/C=C\C/1
InChIInChI=1S/C10H15NO/c1-2-5-9-12-10-6-4-8-11-7-3-1/h2-7,11H,1,8-10H2/b5-2-,6-4-,7-3-
InChIKeyGQLBHDCEHIKFPY-HDEJGWSNSA-N
XLogP1.62
TPSA21.26 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 ≤ 51.62
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 (3Z,7Z,10Z)-1-oxa-6-azacyclododeca-3,7,10-triene?
The IUPAC name of (3Z,7Z,10Z)-1-oxa-6-azacyclododeca-3,7,10-triene (CID 171393716) is (3Z,7Z,10Z)-1-oxa-6-azacyclododeca-3,7,10-triene.
What is the SMILES notation for (3Z,7Z,10Z)-1-oxa-6-azacyclododeca-3,7,10-triene?
The canonical SMILES for (3Z,7Z,10Z)-1-oxa-6-azacyclododeca-3,7,10-triene is C1=C\COC/C=C\CN/C=C\C/1.
What is the InChIKey of (3Z,7Z,10Z)-1-oxa-6-azacyclododeca-3,7,10-triene?
The InChIKey is GQLBHDCEHIKFPY-HDEJGWSNSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-5-9-12-10-6-4-8-11-7-3-1/h2-7,11H,1,8-10H2/b5-2-,6-4-,7-3-.
What are the key properties of (3Z,7Z,10Z)-1-oxa-6-azacyclododeca-3,7,10-triene?
(3Z,7Z,10Z)-1-oxa-6-azacyclododeca-3,7,10-triene has a molecular weight of 165.24 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z,10Z)-1-oxa-6-azacyclododeca-3,7,10-triene is sourced from PubChem (CID 171393716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).