1-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)ethanone

C15H20N2O — CID 546999

IUPAC1-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)ethanone
SMILESCC(=O)N1c2ccc(C)cc2C2CN(C)CCC21
InChIInChI=1S/C15H20N2O/c1-10-4-5-14-12(8-10)13-9-16(3)7-6-15(13)17(14)11(2)18/h4-5,8,13,15H,6-7,9H2,1-3H3
InChIKeyONFJJOVKVXBKOS-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.15
Rot. Bonds

About 1-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)ethanone

1-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)ethanone (PubChem CID 546999) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)ethanone
PubChem CID546999
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)ethanone
SMILESCC(=O)N1c2ccc(C)cc2C2CN(C)CCC21
InChIInChI=1S/C15H20N2O/c1-10-4-5-14-12(8-10)13-9-16(3)7-6-15(13)17(14)11(2)18/h4-5,8,13,15H,6-7,9H2,1-3H3
InChIKeyONFJJOVKVXBKOS-UHFFFAOYSA-N
XLogP2.15
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)ethanone?
The IUPAC name of 1-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)ethanone (CID 546999) is 1-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)ethanone.
What is the SMILES notation for 1-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)ethanone?
The canonical SMILES for 1-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)ethanone is CC(=O)N1c2ccc(C)cc2C2CN(C)CCC21.
What is the InChIKey of 1-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)ethanone?
The InChIKey is ONFJJOVKVXBKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-10-4-5-14-12(8-10)13-9-16(3)7-6-15(13)17(14)11(2)18/h4-5,8,13,15H,6-7,9H2,1-3H3.
What are the key properties of 1-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)ethanone?
1-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)ethanone has a molecular weight of 244.34 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)ethanone is sourced from PubChem (CID 546999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).