3,3,6-trimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-one

C10H14N2O — CID 86723979

IUPAC3,3,6-trimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-one
SMILESCn1cc2c(cc1=O)C(C)(C)CN2
InChIInChI=1S/C10H14N2O/c1-10(2)6-11-8-5-12(3)9(13)4-7(8)10/h4-5,11H,6H2,1-3H3
InChIKeyNNLYYVNNXLRHFD-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.09
Rot. Bonds

About 3,3,6-trimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-one

3,3,6-trimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-one (PubChem CID 86723979) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 3,3,6-trimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-one.

Molecular Properties

Compound Name3,3,6-trimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-one
PubChem CID86723979
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name3,3,6-trimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-one
SMILESCn1cc2c(cc1=O)C(C)(C)CN2
InChIInChI=1S/C10H14N2O/c1-10(2)6-11-8-5-12(3)9(13)4-7(8)10/h4-5,11H,6H2,1-3H3
InChIKeyNNLYYVNNXLRHFD-UHFFFAOYSA-N
XLogP1.09
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,6-trimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-one?
The IUPAC name of 3,3,6-trimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-one (CID 86723979) is 3,3,6-trimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-one.
What is the SMILES notation for 3,3,6-trimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-one?
The canonical SMILES for 3,3,6-trimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-one is Cn1cc2c(cc1=O)C(C)(C)CN2.
What is the InChIKey of 3,3,6-trimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-one?
The InChIKey is NNLYYVNNXLRHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-10(2)6-11-8-5-12(3)9(13)4-7(8)10/h4-5,11H,6H2,1-3H3.
What are the key properties of 3,3,6-trimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-one?
3,3,6-trimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-one has a molecular weight of 178.23 g/mol, XLogP of 1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6-trimethyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-one is sourced from PubChem (CID 86723979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).