4-methoxy-1-methyl-11-prop-2-enyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-triene

C18H25NO — CID 21453644

IUPAC4-methoxy-1-methyl-11-prop-2-enyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-triene
SMILESC=CCN1CCC2(C)CC(Cc3ccc(OC)cc32)C1
InChIInChI=1S/C18H25NO/c1-4-8-19-9-7-18(2)12-14(13-19)10-15-5-6-16(20-3)11-17(15)18/h4-6,11,14H,1,7-10,12-13H2,2-3H3
InChIKeyVIUPYORBLJUQHP-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.41
Rot. Bonds3

About 4-methoxy-1-methyl-11-prop-2-enyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-triene

4-methoxy-1-methyl-11-prop-2-enyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-triene (PubChem CID 21453644) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 4-methoxy-1-methyl-11-prop-2-enyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-triene.

Molecular Properties

Compound Name4-methoxy-1-methyl-11-prop-2-enyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-triene
PubChem CID21453644
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name4-methoxy-1-methyl-11-prop-2-enyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-triene
SMILESC=CCN1CCC2(C)CC(Cc3ccc(OC)cc32)C1
InChIInChI=1S/C18H25NO/c1-4-8-19-9-7-18(2)12-14(13-19)10-15-5-6-16(20-3)11-17(15)18/h4-6,11,14H,1,7-10,12-13H2,2-3H3
InChIKeyVIUPYORBLJUQHP-UHFFFAOYSA-N
XLogP3.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.41
H-Bond Donors ≤ 50
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 4-methoxy-1-methyl-11-prop-2-enyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-triene?
The IUPAC name of 4-methoxy-1-methyl-11-prop-2-enyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-triene (CID 21453644) is 4-methoxy-1-methyl-11-prop-2-enyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-triene.
What is the SMILES notation for 4-methoxy-1-methyl-11-prop-2-enyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-triene?
The canonical SMILES for 4-methoxy-1-methyl-11-prop-2-enyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-triene is C=CCN1CCC2(C)CC(Cc3ccc(OC)cc32)C1.
What is the InChIKey of 4-methoxy-1-methyl-11-prop-2-enyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-triene?
The InChIKey is VIUPYORBLJUQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-4-8-19-9-7-18(2)12-14(13-19)10-15-5-6-16(20-3)11-17(15)18/h4-6,11,14H,1,7-10,12-13H2,2-3H3.
What are the key properties of 4-methoxy-1-methyl-11-prop-2-enyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-triene?
4-methoxy-1-methyl-11-prop-2-enyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-triene has a molecular weight of 271.40 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-methyl-11-prop-2-enyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-triene is sourced from PubChem (CID 21453644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).