2-chloro-10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4,11-tetraene

C13H14ClN — CID 70374184

IUPAC2-chloro-10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4,11-tetraene
SMILESCC1CC2CCC=C3C=C(Cl)C(=C32)C=N1
InChIInChI=1S/C13H14ClN/c1-8-5-9-3-2-4-10-6-12(14)11(7-15-8)13(9)10/h4,6-9H,2-3,5H2,1H3
InChIKeyWAFYTADHJBUVRG-UHFFFAOYSA-N
MW219.72 g/mol
LogP3.62
Rot. Bonds

About 2-chloro-10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4,11-tetraene

2-chloro-10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4,11-tetraene (PubChem CID 70374184) has the molecular formula C13H14ClN and a molecular weight of 219.72 g/mol. Its IUPAC name is 2-chloro-10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4,11-tetraene.

Molecular Properties

Compound Name2-chloro-10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4,11-tetraene
PubChem CID70374184
Molecular FormulaC13H14ClN
Molecular Weight219.72 g/mol
Exact Mass219.08
IUPAC Name2-chloro-10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4,11-tetraene
SMILESCC1CC2CCC=C3C=C(Cl)C(=C32)C=N1
InChIInChI=1S/C13H14ClN/c1-8-5-9-3-2-4-10-6-12(14)11(7-15-8)13(9)10/h4,6-9H,2-3,5H2,1H3
InChIKeyWAFYTADHJBUVRG-UHFFFAOYSA-N
XLogP3.62
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.72
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4,11-tetraene?
The IUPAC name of 2-chloro-10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4,11-tetraene (CID 70374184) is 2-chloro-10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4,11-tetraene.
What is the SMILES notation for 2-chloro-10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4,11-tetraene?
The canonical SMILES for 2-chloro-10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4,11-tetraene is CC1CC2CCC=C3C=C(Cl)C(=C32)C=N1.
What is the InChIKey of 2-chloro-10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4,11-tetraene?
The InChIKey is WAFYTADHJBUVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN/c1-8-5-9-3-2-4-10-6-12(14)11(7-15-8)13(9)10/h4,6-9H,2-3,5H2,1H3.
What are the key properties of 2-chloro-10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4,11-tetraene?
2-chloro-10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4,11-tetraene has a molecular weight of 219.72 g/mol, XLogP of 3.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-10-methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4,11-tetraene is sourced from PubChem (CID 70374184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).