4-methyl-3-prop-1-enyl-2-azabicyclo[6.4.0]dodeca-1,3,6,7,9,11-hexaene

C15H15N — CID 91571912

IUPAC4-methyl-3-prop-1-enyl-2-azabicyclo[6.4.0]dodeca-1,3,6,7,9,11-hexaene
SMILESCC=CC1=C(C)CC=C=c2cccc/c2=N/1
InChIInChI=1S/C15H15N/c1-3-7-14-12(2)8-6-10-13-9-4-5-11-15(13)16-14/h3-7,9,11H,8H2,1-2H3/b7-3?,14-12?,16-15-
InChIKeyMMIWZTJKLDSFLY-FLMZAVMMSA-N
MW209.29 g/mol
LogP2.50
Rot. Bonds1

About 4-methyl-3-prop-1-enyl-2-azabicyclo[6.4.0]dodeca-1,3,6,7,9,11-hexaene

4-methyl-3-prop-1-enyl-2-azabicyclo[6.4.0]dodeca-1,3,6,7,9,11-hexaene (PubChem CID 91571912) has the molecular formula C15H15N and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-methyl-3-prop-1-enyl-2-azabicyclo[6.4.0]dodeca-1,3,6,7,9,11-hexaene.

Molecular Properties

Compound Name4-methyl-3-prop-1-enyl-2-azabicyclo[6.4.0]dodeca-1,3,6,7,9,11-hexaene
PubChem CID91571912
Molecular FormulaC15H15N
Molecular Weight209.29 g/mol
Exact Mass209.12
IUPAC Name4-methyl-3-prop-1-enyl-2-azabicyclo[6.4.0]dodeca-1,3,6,7,9,11-hexaene
SMILESCC=CC1=C(C)CC=C=c2cccc/c2=N/1
InChIInChI=1S/C15H15N/c1-3-7-14-12(2)8-6-10-13-9-4-5-11-15(13)16-14/h3-7,9,11H,8H2,1-2H3/b7-3?,14-12?,16-15-
InChIKeyMMIWZTJKLDSFLY-FLMZAVMMSA-N
XLogP2.50
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-prop-1-enyl-2-azabicyclo[6.4.0]dodeca-1,3,6,7,9,11-hexaene?
The IUPAC name of 4-methyl-3-prop-1-enyl-2-azabicyclo[6.4.0]dodeca-1,3,6,7,9,11-hexaene (CID 91571912) is 4-methyl-3-prop-1-enyl-2-azabicyclo[6.4.0]dodeca-1,3,6,7,9,11-hexaene.
What is the SMILES notation for 4-methyl-3-prop-1-enyl-2-azabicyclo[6.4.0]dodeca-1,3,6,7,9,11-hexaene?
The canonical SMILES for 4-methyl-3-prop-1-enyl-2-azabicyclo[6.4.0]dodeca-1,3,6,7,9,11-hexaene is CC=CC1=C(C)CC=C=c2cccc/c2=N/1.
What is the InChIKey of 4-methyl-3-prop-1-enyl-2-azabicyclo[6.4.0]dodeca-1,3,6,7,9,11-hexaene?
The InChIKey is MMIWZTJKLDSFLY-FLMZAVMMSA-N. The full InChI is InChI=1S/C15H15N/c1-3-7-14-12(2)8-6-10-13-9-4-5-11-15(13)16-14/h3-7,9,11H,8H2,1-2H3/b7-3?,14-12?,16-15-.
What are the key properties of 4-methyl-3-prop-1-enyl-2-azabicyclo[6.4.0]dodeca-1,3,6,7,9,11-hexaene?
4-methyl-3-prop-1-enyl-2-azabicyclo[6.4.0]dodeca-1,3,6,7,9,11-hexaene has a molecular weight of 209.29 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-prop-1-enyl-2-azabicyclo[6.4.0]dodeca-1,3,6,7,9,11-hexaene is sourced from PubChem (CID 91571912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).