8-amino-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one

C11H11N3O — CID 105424073

IUPAC8-amino-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one
SMILESNc1ccc2[nH]c3c(c2c1)C(=O)NCC3
InChIInChI=1S/C11H11N3O/c12-6-1-2-8-7(5-6)10-9(14-8)3-4-13-11(10)15/h1-2,5,14H,3-4,12H2,(H,13,15)
InChIKeyBNLLDYUXBFKLGA-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.04
Rot. Bonds

About 8-amino-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one

8-amino-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one (PubChem CID 105424073) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 8-amino-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one.

Molecular Properties

Compound Name8-amino-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one
PubChem CID105424073
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name8-amino-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one
SMILESNc1ccc2[nH]c3c(c2c1)C(=O)NCC3
InChIInChI=1S/C11H11N3O/c12-6-1-2-8-7(5-6)10-9(14-8)3-4-13-11(10)15/h1-2,5,14H,3-4,12H2,(H,13,15)
InChIKeyBNLLDYUXBFKLGA-UHFFFAOYSA-N
XLogP1.04
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

7-methyl-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one
CID 105424071
8-chloro-7-fluoro-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one
CID 105424119
12-chloro-4,8,10,11-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraen-3-one
CID 156540165
8-fluoro-9-methoxy-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one
CID 105424112
benzene-1,4-diamine;9H-carbazole-3,6-diamine
CID 155092282
9H-carbazole-3,6-diamine;dihydrochloride
CID 131882609
2-amino-7,8,9,10-tetrahydro-5H-phenanthridin-6-one
CID 172552848
6-hydroxy-8-methyl-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one
CID 105424090
4-amino-5,13,18-triazatetracyclo[8.8.0.02,7.011,17]octadeca-1(10),2,4,6,8,11(17)-hexaen-12-one
CID 71120845
6,9-dichloro-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one
CID 105424141
2-(2-methylpropyl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-8-amine
CID 50742476
7-amino-3,10-dihydro-2H-acridin-9-one
CID 146512479

Frequently Asked Questions

What is the IUPAC name of 8-amino-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one?
The IUPAC name of 8-amino-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one (CID 105424073) is 8-amino-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one.
What is the SMILES notation for 8-amino-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one?
The canonical SMILES for 8-amino-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one is Nc1ccc2[nH]c3c(c2c1)C(=O)NCC3.
What is the InChIKey of 8-amino-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one?
The InChIKey is BNLLDYUXBFKLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c12-6-1-2-8-7(5-6)10-9(14-8)3-4-13-11(10)15/h1-2,5,14H,3-4,12H2,(H,13,15).
What are the key properties of 8-amino-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one?
8-amino-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one has a molecular weight of 201.23 g/mol, XLogP of 1.04, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one is sourced from PubChem (CID 105424073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).