1,3,6-trimethylpyrrolo[2,3-c]pyridin-2-one

C10H12N2O — CID 143269971

IUPAC1,3,6-trimethylpyrrolo[2,3-c]pyridin-2-one
SMILESCc1c2ccn(C)cc-2n(C)c1=O
InChIInChI=1S/C10H12N2O/c1-7-8-4-5-11(2)6-9(8)12(3)10(7)13/h4-6H,1-3H3
InChIKeyQFOSBEZWMITQLX-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.14
Rot. Bonds

About 1,3,6-trimethylpyrrolo[2,3-c]pyridin-2-one

1,3,6-trimethylpyrrolo[2,3-c]pyridin-2-one (PubChem CID 143269971) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 1,3,6-trimethylpyrrolo[2,3-c]pyridin-2-one.

Molecular Properties

Compound Name1,3,6-trimethylpyrrolo[2,3-c]pyridin-2-one
PubChem CID143269971
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name1,3,6-trimethylpyrrolo[2,3-c]pyridin-2-one
SMILESCc1c2ccn(C)cc-2n(C)c1=O
InChIInChI=1S/C10H12N2O/c1-7-8-4-5-11(2)6-9(8)12(3)10(7)13/h4-6H,1-3H3
InChIKeyQFOSBEZWMITQLX-UHFFFAOYSA-N
XLogP1.14
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethylpyrrolo[2,3-c]pyridin-2-one?
The IUPAC name of 1,3,6-trimethylpyrrolo[2,3-c]pyridin-2-one (CID 143269971) is 1,3,6-trimethylpyrrolo[2,3-c]pyridin-2-one.
What is the SMILES notation for 1,3,6-trimethylpyrrolo[2,3-c]pyridin-2-one?
The canonical SMILES for 1,3,6-trimethylpyrrolo[2,3-c]pyridin-2-one is Cc1c2ccn(C)cc-2n(C)c1=O.
What is the InChIKey of 1,3,6-trimethylpyrrolo[2,3-c]pyridin-2-one?
The InChIKey is QFOSBEZWMITQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-7-8-4-5-11(2)6-9(8)12(3)10(7)13/h4-6H,1-3H3.
What are the key properties of 1,3,6-trimethylpyrrolo[2,3-c]pyridin-2-one?
1,3,6-trimethylpyrrolo[2,3-c]pyridin-2-one has a molecular weight of 176.22 g/mol, XLogP of 1.14, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethylpyrrolo[2,3-c]pyridin-2-one is sourced from PubChem (CID 143269971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).