4-chloro-11-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(14),2,4-triene

C14H18ClN — CID 14822711

IUPAC4-chloro-11-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(14),2,4-triene
SMILESCN1CCc2ccc(Cl)c3c2C(CCC3)C1
InChIInChI=1S/C14H18ClN/c1-16-8-7-10-5-6-13(15)12-4-2-3-11(9-16)14(10)12/h5-6,11H,2-4,7-9H2,1H3
InChIKeyJMKKCTPTLYGDIG-UHFFFAOYSA-N
MW235.76 g/mol
LogP3.25
Rot. Bonds

About 4-chloro-11-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(14),2,4-triene

4-chloro-11-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(14),2,4-triene (PubChem CID 14822711) has the molecular formula C14H18ClN and a molecular weight of 235.76 g/mol. Its IUPAC name is 4-chloro-11-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(14),2,4-triene.

Molecular Properties

Compound Name4-chloro-11-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(14),2,4-triene
PubChem CID14822711
Molecular FormulaC14H18ClN
Molecular Weight235.76 g/mol
Exact Mass235.11
IUPAC Name4-chloro-11-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(14),2,4-triene
SMILESCN1CCc2ccc(Cl)c3c2C(CCC3)C1
InChIInChI=1S/C14H18ClN/c1-16-8-7-10-5-6-13(15)12-4-2-3-11(9-16)14(10)12/h5-6,11H,2-4,7-9H2,1H3
InChIKeyJMKKCTPTLYGDIG-UHFFFAOYSA-N
XLogP3.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.76
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-11-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(14),2,4-triene?
The IUPAC name of 4-chloro-11-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(14),2,4-triene (CID 14822711) is 4-chloro-11-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(14),2,4-triene.
What is the SMILES notation for 4-chloro-11-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(14),2,4-triene?
The canonical SMILES for 4-chloro-11-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(14),2,4-triene is CN1CCc2ccc(Cl)c3c2C(CCC3)C1.
What is the InChIKey of 4-chloro-11-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(14),2,4-triene?
The InChIKey is JMKKCTPTLYGDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN/c1-16-8-7-10-5-6-13(15)12-4-2-3-11(9-16)14(10)12/h5-6,11H,2-4,7-9H2,1H3.
What are the key properties of 4-chloro-11-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(14),2,4-triene?
4-chloro-11-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(14),2,4-triene has a molecular weight of 235.76 g/mol, XLogP of 3.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-11-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(14),2,4-triene is sourced from PubChem (CID 14822711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).