13-chloro-7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene

C14H18ClN — CID 70374311

IUPAC13-chloro-7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene
SMILESCC1CC2=C3C(=C(Cl)C=NC2)CCCC3C1
InChIInChI=1S/C14H18ClN/c1-9-5-10-3-2-4-12-13(15)8-16-7-11(6-9)14(10)12/h8-10H,2-7H2,1H3
InChIKeyYDXVFAZPEGYMCE-UHFFFAOYSA-N
MW235.76 g/mol
LogP4.09
Rot. Bonds

About 13-chloro-7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene

13-chloro-7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene (PubChem CID 70374311) has the molecular formula C14H18ClN and a molecular weight of 235.76 g/mol. Its IUPAC name is 13-chloro-7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene.

Molecular Properties

Compound Name13-chloro-7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene
PubChem CID70374311
Molecular FormulaC14H18ClN
Molecular Weight235.76 g/mol
Exact Mass235.11
IUPAC Name13-chloro-7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene
SMILESCC1CC2=C3C(=C(Cl)C=NC2)CCCC3C1
InChIInChI=1S/C14H18ClN/c1-9-5-10-3-2-4-12-13(15)8-16-7-11(6-9)14(10)12/h8-10H,2-7H2,1H3
InChIKeyYDXVFAZPEGYMCE-UHFFFAOYSA-N
XLogP4.09
TPSA12.36 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 ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 13-chloro-7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene?
The IUPAC name of 13-chloro-7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene (CID 70374311) is 13-chloro-7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene.
What is the SMILES notation for 13-chloro-7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene?
The canonical SMILES for 13-chloro-7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene is CC1CC2=C3C(=C(Cl)C=NC2)CCCC3C1.
What is the InChIKey of 13-chloro-7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene?
The InChIKey is YDXVFAZPEGYMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN/c1-9-5-10-3-2-4-12-13(15)8-16-7-11(6-9)14(10)12/h8-10H,2-7H2,1H3.
What are the key properties of 13-chloro-7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene?
13-chloro-7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene has a molecular weight of 235.76 g/mol, XLogP of 4.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 13-chloro-7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(13),9(14),11-triene is sourced from PubChem (CID 70374311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).