11-chloro-7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(14),9,12-triene

C14H18ClN — CID 88616064

IUPAC11-chloro-7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(14),9,12-triene
SMILESCC1CC2=CN(Cl)C=CC3=C2C(CCC3)C1
InChIInChI=1S/C14H18ClN/c1-10-7-12-4-2-3-11-5-6-16(15)9-13(8-10)14(11)12/h5-6,9-10,12H,2-4,7-8H2,1H3
InChIKeyIKSDKMVYAMKEDM-UHFFFAOYSA-N
MW235.76 g/mol
LogP4.38
Rot. Bonds

About 11-chloro-7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(14),9,12-triene

11-chloro-7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(14),9,12-triene (PubChem CID 88616064) has the molecular formula C14H18ClN and a molecular weight of 235.76 g/mol. Its IUPAC name is 11-chloro-7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(14),9,12-triene.

Molecular Properties

Compound Name11-chloro-7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(14),9,12-triene
PubChem CID88616064
Molecular FormulaC14H18ClN
Molecular Weight235.76 g/mol
Exact Mass235.11
IUPAC Name11-chloro-7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(14),9,12-triene
SMILESCC1CC2=CN(Cl)C=CC3=C2C(CCC3)C1
InChIInChI=1S/C14H18ClN/c1-10-7-12-4-2-3-11-5-6-16(15)9-13(8-10)14(11)12/h5-6,9-10,12H,2-4,7-8H2,1H3
InChIKeyIKSDKMVYAMKEDM-UHFFFAOYSA-N
XLogP4.38
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 ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze 11-chloro-7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(14),9,12-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 11-chloro-7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(14),9,12-triene?
The IUPAC name of 11-chloro-7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(14),9,12-triene (CID 88616064) is 11-chloro-7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(14),9,12-triene.
What is the SMILES notation for 11-chloro-7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(14),9,12-triene?
The canonical SMILES for 11-chloro-7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(14),9,12-triene is CC1CC2=CN(Cl)C=CC3=C2C(CCC3)C1.
What is the InChIKey of 11-chloro-7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(14),9,12-triene?
The InChIKey is IKSDKMVYAMKEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN/c1-10-7-12-4-2-3-11-5-6-16(15)9-13(8-10)14(11)12/h5-6,9-10,12H,2-4,7-8H2,1H3.
What are the key properties of 11-chloro-7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(14),9,12-triene?
11-chloro-7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(14),9,12-triene has a molecular weight of 235.76 g/mol, XLogP of 4.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-chloro-7-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(14),9,12-triene is sourced from PubChem (CID 88616064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).