9-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole

C12H14N2 — CID 105442254

IUPAC9-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
SMILESCc1cccc2[nH]c3c(c12)CNCC3
InChIInChI=1S/C12H14N2/c1-8-3-2-4-11-12(8)9-7-13-6-5-10(9)14-11/h2-4,13-14H,5-7H2,1H3
InChIKeySKOVNLSMYXFUSV-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.12
Rot. Bonds

About 9-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole

9-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole (PubChem CID 105442254) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 9-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name9-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
PubChem CID105442254
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name9-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
SMILESCc1cccc2[nH]c3c(c12)CNCC3
InChIInChI=1S/C12H14N2/c1-8-3-2-4-11-12(8)9-7-13-6-5-10(9)14-11/h2-4,13-14H,5-7H2,1H3
InChIKeySKOVNLSMYXFUSV-UHFFFAOYSA-N
XLogP2.12
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 9-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole (CID 105442254) is 9-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 9-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 9-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole is Cc1cccc2[nH]c3c(c12)CNCC3.
What is the InChIKey of 9-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole?
The InChIKey is SKOVNLSMYXFUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-8-3-2-4-11-12(8)9-7-13-6-5-10(9)14-11/h2-4,13-14H,5-7H2,1H3.
What are the key properties of 9-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole?
9-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole has a molecular weight of 186.26 g/mol, XLogP of 2.12, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 105442254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).