(2Z)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cycloocta-2,4-dien-1-imine

C15H22N2O — CID 123266673

IUPAC(2Z)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cycloocta-2,4-dien-1-imine
SMILES[H]/N=C1CCCC=C/C=C\1CN1CC2CCC(C1)O2
InChIInChI=1S/C15H22N2O/c16-15-6-4-2-1-3-5-12(15)9-17-10-13-7-8-14(11-17)18-13/h1,3,5,13-14,16H,2,4,6-11H2/b3-1?,12-5-,16-15+
InChIKeyQHYKKYKPNYMYDP-ZEYYHCGRSA-N
MW246.35 g/mol
LogP2.54
Rot. Bonds2

About (2Z)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cycloocta-2,4-dien-1-imine

(2Z)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cycloocta-2,4-dien-1-imine (PubChem CID 123266673) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (2Z)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cycloocta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cycloocta-2,4-dien-1-imine
PubChem CID123266673
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(2Z)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cycloocta-2,4-dien-1-imine
SMILES[H]/N=C1CCCC=C/C=C\1CN1CC2CCC(C1)O2
InChIInChI=1S/C15H22N2O/c16-15-6-4-2-1-3-5-12(15)9-17-10-13-7-8-14(11-17)18-13/h1,3,5,13-14,16H,2,4,6-11H2/b3-1?,12-5-,16-15+
InChIKeyQHYKKYKPNYMYDP-ZEYYHCGRSA-N
XLogP2.54
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (2Z)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cycloocta-2,4-dien-1-imine?
The IUPAC name of (2Z)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cycloocta-2,4-dien-1-imine (CID 123266673) is (2Z)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cycloocta-2,4-dien-1-imine.
What is the SMILES notation for (2Z)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cycloocta-2,4-dien-1-imine?
The canonical SMILES for (2Z)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cycloocta-2,4-dien-1-imine is [H]/N=C1CCCC=C/C=C\1CN1CC2CCC(C1)O2.
What is the InChIKey of (2Z)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cycloocta-2,4-dien-1-imine?
The InChIKey is QHYKKYKPNYMYDP-ZEYYHCGRSA-N. The full InChI is InChI=1S/C15H22N2O/c16-15-6-4-2-1-3-5-12(15)9-17-10-13-7-8-14(11-17)18-13/h1,3,5,13-14,16H,2,4,6-11H2/b3-1?,12-5-,16-15+.
What are the key properties of (2Z)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cycloocta-2,4-dien-1-imine?
(2Z)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cycloocta-2,4-dien-1-imine has a molecular weight of 246.35 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cycloocta-2,4-dien-1-imine is sourced from PubChem (CID 123266673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).