4,10-dimethyl-11-methylidene-3-[(E)-prop-1-enyl]-2-azabicyclo[6.4.0]dodeca-1(12),2,6,7,9-pentaene

C17H19N — CID 90688123

IUPAC4,10-dimethyl-11-methylidene-3-[(E)-prop-1-enyl]-2-azabicyclo[6.4.0]dodeca-1(12),2,6,7,9-pentaene
SMILESC=c1cc2c(cc1C)=C=CCC(C)C(/C=C/C)=N\2
InChIInChI=1S/C17H19N/c1-5-7-16-12(2)8-6-9-15-10-13(3)14(4)11-17(15)18-16/h5-7,10-12H,4,8H2,1-3H3/b7-5+,18-16-
InChIKeyMZVZOEHBVWFBGK-LVPCRADDSA-N
MW237.35 g/mol
LogP3.03
Rot. Bonds1

About 4,10-dimethyl-11-methylidene-3-[(E)-prop-1-enyl]-2-azabicyclo[6.4.0]dodeca-1(12),2,6,7,9-pentaene

4,10-dimethyl-11-methylidene-3-[(E)-prop-1-enyl]-2-azabicyclo[6.4.0]dodeca-1(12),2,6,7,9-pentaene (PubChem CID 90688123) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 4,10-dimethyl-11-methylidene-3-[(E)-prop-1-enyl]-2-azabicyclo[6.4.0]dodeca-1(12),2,6,7,9-pentaene.

Molecular Properties

Compound Name4,10-dimethyl-11-methylidene-3-[(E)-prop-1-enyl]-2-azabicyclo[6.4.0]dodeca-1(12),2,6,7,9-pentaene
PubChem CID90688123
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name4,10-dimethyl-11-methylidene-3-[(E)-prop-1-enyl]-2-azabicyclo[6.4.0]dodeca-1(12),2,6,7,9-pentaene
SMILESC=c1cc2c(cc1C)=C=CCC(C)C(/C=C/C)=N\2
InChIInChI=1S/C17H19N/c1-5-7-16-12(2)8-6-9-15-10-13(3)14(4)11-17(15)18-16/h5-7,10-12H,4,8H2,1-3H3/b7-5+,18-16-
InChIKeyMZVZOEHBVWFBGK-LVPCRADDSA-N
XLogP3.03
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,10-dimethyl-11-methylidene-3-[(E)-prop-1-enyl]-2-azabicyclo[6.4.0]dodeca-1(12),2,6,7,9-pentaene?
The IUPAC name of 4,10-dimethyl-11-methylidene-3-[(E)-prop-1-enyl]-2-azabicyclo[6.4.0]dodeca-1(12),2,6,7,9-pentaene (CID 90688123) is 4,10-dimethyl-11-methylidene-3-[(E)-prop-1-enyl]-2-azabicyclo[6.4.0]dodeca-1(12),2,6,7,9-pentaene.
What is the SMILES notation for 4,10-dimethyl-11-methylidene-3-[(E)-prop-1-enyl]-2-azabicyclo[6.4.0]dodeca-1(12),2,6,7,9-pentaene?
The canonical SMILES for 4,10-dimethyl-11-methylidene-3-[(E)-prop-1-enyl]-2-azabicyclo[6.4.0]dodeca-1(12),2,6,7,9-pentaene is C=c1cc2c(cc1C)=C=CCC(C)C(/C=C/C)=N\2.
What is the InChIKey of 4,10-dimethyl-11-methylidene-3-[(E)-prop-1-enyl]-2-azabicyclo[6.4.0]dodeca-1(12),2,6,7,9-pentaene?
The InChIKey is MZVZOEHBVWFBGK-LVPCRADDSA-N. The full InChI is InChI=1S/C17H19N/c1-5-7-16-12(2)8-6-9-15-10-13(3)14(4)11-17(15)18-16/h5-7,10-12H,4,8H2,1-3H3/b7-5+,18-16-.
What are the key properties of 4,10-dimethyl-11-methylidene-3-[(E)-prop-1-enyl]-2-azabicyclo[6.4.0]dodeca-1(12),2,6,7,9-pentaene?
4,10-dimethyl-11-methylidene-3-[(E)-prop-1-enyl]-2-azabicyclo[6.4.0]dodeca-1(12),2,6,7,9-pentaene has a molecular weight of 237.35 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10-dimethyl-11-methylidene-3-[(E)-prop-1-enyl]-2-azabicyclo[6.4.0]dodeca-1(12),2,6,7,9-pentaene is sourced from PubChem (CID 90688123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).