6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indole

C11H12N2 — CID 817009

IUPAC6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indole
SMILESc1cnc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C11H12N2/c1-2-6-10-8(4-1)9-5-3-7-12-11(9)13-10/h3,5,7H,1-2,4,6H2,(H,12,13)
InChIKeyXHIYUWFLVSLVBJ-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.44
Rot. Bonds

About 6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indole

6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indole (PubChem CID 817009) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indole.

Molecular Properties

Compound Name6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indole
PubChem CID817009
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indole
SMILESc1cnc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C11H12N2/c1-2-6-10-8(4-1)9-5-3-7-12-11(9)13-10/h3,5,7H,1-2,4,6H2,(H,12,13)
InChIKeyXHIYUWFLVSLVBJ-UHFFFAOYSA-N
XLogP2.44
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indole?
The IUPAC name of 6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indole (CID 817009) is 6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indole.
What is the SMILES notation for 6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indole?
The canonical SMILES for 6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indole is c1cnc2[nH]c3c(c2c1)CCCC3.
What is the InChIKey of 6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indole?
The InChIKey is XHIYUWFLVSLVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-2-6-10-8(4-1)9-5-3-7-12-11(9)13-10/h3,5,7H,1-2,4,6H2,(H,12,13).
What are the key properties of 6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indole?
6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indole has a molecular weight of 172.23 g/mol, XLogP of 2.44, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indole is sourced from PubChem (CID 817009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).