(5Z,7Z)-2-oxabicyclo[6.3.1]dodeca-1(11),5,7,9-tetraen-12-imine

C11H11NO — CID 134386992

IUPAC(5Z,7Z)-2-oxabicyclo[6.3.1]dodeca-1(11),5,7,9-tetraen-12-imine
SMILES[H]/N=C1\C2=CC=C\C1=C\C=C/CCO2
InChIInChI=1S/C11H11NO/c12-11-9-5-2-1-3-8-13-10(11)7-4-6-9/h1-2,4-7,12H,3,8H2/b2-1-,9-5-,12-11-
InChIKeyFGPFBWAGIIVQIW-AIPJNDDFSA-N
MW173.22 g/mol
LogP2.36
Rot. Bonds

About (5Z,7Z)-2-oxabicyclo[6.3.1]dodeca-1(11),5,7,9-tetraen-12-imine

(5Z,7Z)-2-oxabicyclo[6.3.1]dodeca-1(11),5,7,9-tetraen-12-imine (PubChem CID 134386992) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is (5Z,7Z)-2-oxabicyclo[6.3.1]dodeca-1(11),5,7,9-tetraen-12-imine.

Molecular Properties

Compound Name(5Z,7Z)-2-oxabicyclo[6.3.1]dodeca-1(11),5,7,9-tetraen-12-imine
PubChem CID134386992
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC Name(5Z,7Z)-2-oxabicyclo[6.3.1]dodeca-1(11),5,7,9-tetraen-12-imine
SMILES[H]/N=C1\C2=CC=C\C1=C\C=C/CCO2
InChIInChI=1S/C11H11NO/c12-11-9-5-2-1-3-8-13-10(11)7-4-6-9/h1-2,4-7,12H,3,8H2/b2-1-,9-5-,12-11-
InChIKeyFGPFBWAGIIVQIW-AIPJNDDFSA-N
XLogP2.36
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z,7Z)-2-oxabicyclo[6.3.1]dodeca-1(11),5,7,9-tetraen-12-imine?
The IUPAC name of (5Z,7Z)-2-oxabicyclo[6.3.1]dodeca-1(11),5,7,9-tetraen-12-imine (CID 134386992) is (5Z,7Z)-2-oxabicyclo[6.3.1]dodeca-1(11),5,7,9-tetraen-12-imine.
What is the SMILES notation for (5Z,7Z)-2-oxabicyclo[6.3.1]dodeca-1(11),5,7,9-tetraen-12-imine?
The canonical SMILES for (5Z,7Z)-2-oxabicyclo[6.3.1]dodeca-1(11),5,7,9-tetraen-12-imine is [H]/N=C1\C2=CC=C\C1=C\C=C/CCO2.
What is the InChIKey of (5Z,7Z)-2-oxabicyclo[6.3.1]dodeca-1(11),5,7,9-tetraen-12-imine?
The InChIKey is FGPFBWAGIIVQIW-AIPJNDDFSA-N. The full InChI is InChI=1S/C11H11NO/c12-11-9-5-2-1-3-8-13-10(11)7-4-6-9/h1-2,4-7,12H,3,8H2/b2-1-,9-5-,12-11-.
What are the key properties of (5Z,7Z)-2-oxabicyclo[6.3.1]dodeca-1(11),5,7,9-tetraen-12-imine?
(5Z,7Z)-2-oxabicyclo[6.3.1]dodeca-1(11),5,7,9-tetraen-12-imine has a molecular weight of 173.22 g/mol, XLogP of 2.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7Z)-2-oxabicyclo[6.3.1]dodeca-1(11),5,7,9-tetraen-12-imine is sourced from PubChem (CID 134386992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).