7-methyl-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one

C12H12N2O — CID 105424071

IUPAC7-methyl-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one
SMILESCc1ccc2c3c([nH]c2c1)CCNC3=O
InChIInChI=1S/C12H12N2O/c1-7-2-3-8-10(6-7)14-9-4-5-13-12(15)11(8)9/h2-3,6,14H,4-5H2,1H3,(H,13,15)
InChIKeyAJRRMWZQXHIHIE-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.76
Rot. Bonds

About 7-methyl-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one

7-methyl-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one (PubChem CID 105424071) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 7-methyl-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one.

Molecular Properties

Compound Name7-methyl-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one
PubChem CID105424071
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name7-methyl-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one
SMILESCc1ccc2c3c([nH]c2c1)CCNC3=O
InChIInChI=1S/C12H12N2O/c1-7-2-3-8-10(6-7)14-9-4-5-13-12(15)11(8)9/h2-3,6,14H,4-5H2,1H3,(H,13,15)
InChIKeyAJRRMWZQXHIHIE-UHFFFAOYSA-N
XLogP1.76
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

8-amino-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one
CID 105424073
6-hydroxy-8-methyl-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one
CID 105424090
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
7-methyl-4-oxo-1,2,3,9-tetrahydrocarbazole-2-carboxylic acid
CID 84630729
8-fluoro-9-methoxy-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one
CID 105424112
6-methyl-3,4-dihydro-2H-isoquinolin-1-one
CID 22890891
6,9-dichloro-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one
CID 105424141
2,7-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 687265
3-methyl-5H-phenanthridin-6-one
CID 59877971
3,9-dimethyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
CID 59728395
7,10-dimethyl-3,4-dihydro-2H-azepino[3,4-b]indole-1,5-dione
CID 170858085

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one?
The IUPAC name of 7-methyl-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one (CID 105424071) is 7-methyl-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one.
What is the SMILES notation for 7-methyl-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one?
The canonical SMILES for 7-methyl-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one is Cc1ccc2c3c([nH]c2c1)CCNC3=O.
What is the InChIKey of 7-methyl-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one?
The InChIKey is AJRRMWZQXHIHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-7-2-3-8-10(6-7)14-9-4-5-13-12(15)11(8)9/h2-3,6,14H,4-5H2,1H3,(H,13,15).
What are the key properties of 7-methyl-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one?
7-methyl-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one has a molecular weight of 200.24 g/mol, XLogP of 1.76, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-one is sourced from PubChem (CID 105424071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).