1,9-dimethyl-6-propanoylpyrido[2,3-b]indol-2-one

C16H16N2O2 — CID 141172554

IUPAC1,9-dimethyl-6-propanoylpyrido[2,3-b]indol-2-one
SMILESCCC(=O)c1ccc2c(c1)c1ccc(=O)n(C)c1n2C
InChIInChI=1S/C16H16N2O2/c1-4-14(19)10-5-7-13-12(9-10)11-6-8-15(20)18(3)16(11)17(13)2/h5-9H,4H2,1-3H3
InChIKeyIMUDNVHKHZUFSN-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.62
Rot. Bonds2

About 1,9-dimethyl-6-propanoylpyrido[2,3-b]indol-2-one

1,9-dimethyl-6-propanoylpyrido[2,3-b]indol-2-one (PubChem CID 141172554) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1,9-dimethyl-6-propanoylpyrido[2,3-b]indol-2-one.

Molecular Properties

Compound Name1,9-dimethyl-6-propanoylpyrido[2,3-b]indol-2-one
PubChem CID141172554
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name1,9-dimethyl-6-propanoylpyrido[2,3-b]indol-2-one
SMILESCCC(=O)c1ccc2c(c1)c1ccc(=O)n(C)c1n2C
InChIInChI=1S/C16H16N2O2/c1-4-14(19)10-5-7-13-12(9-10)11-6-8-15(20)18(3)16(11)17(13)2/h5-9H,4H2,1-3H3
InChIKeyIMUDNVHKHZUFSN-UHFFFAOYSA-N
XLogP2.62
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,9-dimethyl-6-propanoylpyrido[2,3-b]indol-2-one?
The IUPAC name of 1,9-dimethyl-6-propanoylpyrido[2,3-b]indol-2-one (CID 141172554) is 1,9-dimethyl-6-propanoylpyrido[2,3-b]indol-2-one.
What is the SMILES notation for 1,9-dimethyl-6-propanoylpyrido[2,3-b]indol-2-one?
The canonical SMILES for 1,9-dimethyl-6-propanoylpyrido[2,3-b]indol-2-one is CCC(=O)c1ccc2c(c1)c1ccc(=O)n(C)c1n2C.
What is the InChIKey of 1,9-dimethyl-6-propanoylpyrido[2,3-b]indol-2-one?
The InChIKey is IMUDNVHKHZUFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-4-14(19)10-5-7-13-12(9-10)11-6-8-15(20)18(3)16(11)17(13)2/h5-9H,4H2,1-3H3.
What are the key properties of 1,9-dimethyl-6-propanoylpyrido[2,3-b]indol-2-one?
1,9-dimethyl-6-propanoylpyrido[2,3-b]indol-2-one has a molecular weight of 268.32 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dimethyl-6-propanoylpyrido[2,3-b]indol-2-one is sourced from PubChem (CID 141172554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).