4,4a,5,5a,9a,9b-hexahydro-1H-pyrido[4,3-b]indole

C11H14N2 — CID 54388499

IUPAC4,4a,5,5a,9a,9b-hexahydro-1H-pyrido[4,3-b]indole
SMILESC1=CC2NC3CC=NCC3C2C=C1
InChIInChI=1S/C11H14N2/c1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10/h1-4,6,8-11,13H,5,7H2
InChIKeyVEYLOLGNQFQJOX-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.16
Rot. Bonds

About 4,4a,5,5a,9a,9b-hexahydro-1H-pyrido[4,3-b]indole

4,4a,5,5a,9a,9b-hexahydro-1H-pyrido[4,3-b]indole (PubChem CID 54388499) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 4,4a,5,5a,9a,9b-hexahydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name4,4a,5,5a,9a,9b-hexahydro-1H-pyrido[4,3-b]indole
PubChem CID54388499
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name4,4a,5,5a,9a,9b-hexahydro-1H-pyrido[4,3-b]indole
SMILESC1=CC2NC3CC=NCC3C2C=C1
InChIInChI=1S/C11H14N2/c1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10/h1-4,6,8-11,13H,5,7H2
InChIKeyVEYLOLGNQFQJOX-UHFFFAOYSA-N
XLogP1.16
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,4a,5,5a,9a,9b-hexahydro-1H-pyrido[4,3-b]indole with MolForge

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Related Compounds

1,3a,4,4a,7,8,8a,8b-Octahydropyrrolo[2,3-b]indole
CID 53939457
8-fluoro-2,3,4,5a,9a,9b-hexahydro-1H-pyrido[4,3-b]indole
CID 90852966
1,3a,4,4a,8a,8b-Hexahydropyrrolo[2,3-b]indole
CID 91219672
5,5a,8,9,9a,9b-hexahydro-4aH-pyrido[4,3-b]indole
CID 18788968
4,4a,4b,8a,9,9a-hexahydro-3H-carbazole
CID 19069148
4b,5,9,9a-tetrahydro-4aH-pyrido[3,4-b]indole
CID 19434437
4,4a,4b,8a,9,9a-hexahydro-1H-pyrido[3,4-b]indole
CID 20431557
5,5a,9a,9b-tetrahydro-4aH-pyrido[4,3-b]indole
CID 22340385
5,5a,5b,6,7,9a,10,10a-Octahydroazepino[3,4-b]indole
CID 23072053
4a,5,5a,8,9,9a-hexahydro-4H-pyrido[4,3-b]indole
CID 54273386
(4aR,9bR)-4,4a,5,5a,8,9,9a,9b-octahydro-1H-pyrido[4,3-b]indole
CID 54422277
4,4a,5,5a,8,9,9a,9b-octahydro-1H-pyrido[4,3-b]indole
CID 54422278

Frequently Asked Questions

What is the IUPAC name of 4,4a,5,5a,9a,9b-hexahydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 4,4a,5,5a,9a,9b-hexahydro-1H-pyrido[4,3-b]indole (CID 54388499) is 4,4a,5,5a,9a,9b-hexahydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 4,4a,5,5a,9a,9b-hexahydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 4,4a,5,5a,9a,9b-hexahydro-1H-pyrido[4,3-b]indole is C1=CC2NC3CC=NCC3C2C=C1.
What is the InChIKey of 4,4a,5,5a,9a,9b-hexahydro-1H-pyrido[4,3-b]indole?
The InChIKey is VEYLOLGNQFQJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10/h1-4,6,8-11,13H,5,7H2.
What are the key properties of 4,4a,5,5a,9a,9b-hexahydro-1H-pyrido[4,3-b]indole?
4,4a,5,5a,9a,9b-hexahydro-1H-pyrido[4,3-b]indole has a molecular weight of 174.25 g/mol, XLogP of 1.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4a,5,5a,9a,9b-hexahydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 54388499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).