4b,5,9,9a-tetrahydro-4aH-pyrido[3,4-b]indole

C11H12N2 — CID 19434437

IUPAC4b,5,9,9a-tetrahydro-4aH-pyrido[3,4-b]indole
SMILESC1=CCC2C(=C1)NC1C=NC=CC12
InChIInChI=1S/C11H12N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-2,4-9,11,13H,3H2
InChIKeyFNFCPHUOWYTZBD-UHFFFAOYSA-N
MW172.23 g/mol
LogP1.63
Rot. Bonds

About 4b,5,9,9a-tetrahydro-4aH-pyrido[3,4-b]indole

4b,5,9,9a-tetrahydro-4aH-pyrido[3,4-b]indole (PubChem CID 19434437) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 4b,5,9,9a-tetrahydro-4aH-pyrido[3,4-b]indole.

Molecular Properties

Compound Name4b,5,9,9a-tetrahydro-4aH-pyrido[3,4-b]indole
PubChem CID19434437
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name4b,5,9,9a-tetrahydro-4aH-pyrido[3,4-b]indole
SMILESC1=CCC2C(=C1)NC1C=NC=CC12
InChIInChI=1S/C11H12N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-2,4-9,11,13H,3H2
InChIKeyFNFCPHUOWYTZBD-UHFFFAOYSA-N
XLogP1.63
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4b,5,9,9a-tetrahydro-4aH-pyrido[3,4-b]indole?
The IUPAC name of 4b,5,9,9a-tetrahydro-4aH-pyrido[3,4-b]indole (CID 19434437) is 4b,5,9,9a-tetrahydro-4aH-pyrido[3,4-b]indole.
What is the SMILES notation for 4b,5,9,9a-tetrahydro-4aH-pyrido[3,4-b]indole?
The canonical SMILES for 4b,5,9,9a-tetrahydro-4aH-pyrido[3,4-b]indole is C1=CCC2C(=C1)NC1C=NC=CC12.
What is the InChIKey of 4b,5,9,9a-tetrahydro-4aH-pyrido[3,4-b]indole?
The InChIKey is FNFCPHUOWYTZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-2,4-9,11,13H,3H2.
What are the key properties of 4b,5,9,9a-tetrahydro-4aH-pyrido[3,4-b]indole?
4b,5,9,9a-tetrahydro-4aH-pyrido[3,4-b]indole has a molecular weight of 172.23 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4b,5,9,9a-tetrahydro-4aH-pyrido[3,4-b]indole is sourced from PubChem (CID 19434437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).