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

Name: 1,9-dimethyl-6-propanoylpyrido[2,3-b]indol-2-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₆H₁₆N₂O₂ — CID 141172554

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	1,9-dimethyl-6-propanoylpyrido[2,3-b]indol-2-one
PubChem CID	141172554
Molecular Formula	C₁₆H₁₆N₂O₂
Molecular Weight	268.32 g/mol
Exact Mass	268.12
IUPAC Name	1,9-dimethyl-6-propanoylpyrido[2,3-b]indol-2-one
SMILES	CCC(=O)c1ccc2c(c1)c1ccc(=O)n(C)c1n2C
InChI	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
InChIKey	IMUDNVHKHZUFSN-UHFFFAOYSA-N
XLogP	2.62
TPSA	44.00 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	2
Heavy Atoms	20
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	268.32
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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).

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Sources

PubChem CID 141172554 — identifiers, structure, computed properties (public domain)

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