8-chloro-1,2-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indole

C13H15ClN2 — CID 68760066

IUPAC8-chloro-1,2-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
SMILESCC1c2c([nH]c3ccc(Cl)cc23)CCN1C
InChIInChI=1S/C13H15ClN2/c1-8-13-10-7-9(14)3-4-11(10)15-12(13)5-6-16(8)2/h3-4,7-8,15H,5-6H2,1-2H3
InChIKeyULMNPDKOWNFBKE-UHFFFAOYSA-N
MW234.73 g/mol
LogP3.37
Rot. Bonds

About 8-chloro-1,2-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indole

8-chloro-1,2-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indole (PubChem CID 68760066) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 8-chloro-1,2-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indole.

Molecular Properties

Compound Name8-chloro-1,2-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
PubChem CID68760066
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name8-chloro-1,2-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
SMILESCC1c2c([nH]c3ccc(Cl)cc23)CCN1C
InChIInChI=1S/C13H15ClN2/c1-8-13-10-7-9(14)3-4-11(10)15-12(13)5-6-16(8)2/h3-4,7-8,15H,5-6H2,1-2H3
InChIKeyULMNPDKOWNFBKE-UHFFFAOYSA-N
XLogP3.37
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-1,2-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The IUPAC name of 8-chloro-1,2-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indole (CID 68760066) is 8-chloro-1,2-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indole.
What is the SMILES notation for 8-chloro-1,2-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The canonical SMILES for 8-chloro-1,2-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indole is CC1c2c([nH]c3ccc(Cl)cc23)CCN1C.
What is the InChIKey of 8-chloro-1,2-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The InChIKey is ULMNPDKOWNFBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c1-8-13-10-7-9(14)3-4-11(10)15-12(13)5-6-16(8)2/h3-4,7-8,15H,5-6H2,1-2H3.
What are the key properties of 8-chloro-1,2-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indole?
8-chloro-1,2-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indole has a molecular weight of 234.73 g/mol, XLogP of 3.37, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1,2-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indole is sourced from PubChem (CID 68760066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).