1,4,5-trimethyl-6H-pyrrolo[2,3-c]pyridin-7-one

C10H12N2O — CID 90213415

IUPAC1,4,5-trimethyl-6H-pyrrolo[2,3-c]pyridin-7-one
SMILESCc1[nH]c(=O)c2c(ccn2C)c1C
InChIInChI=1S/C10H12N2O/c1-6-7(2)11-10(13)9-8(6)4-5-12(9)3/h4-5H,1-3H3,(H,11,13)
InChIKeyLQLBFOSVEYIKJW-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.48
Rot. Bonds

About 1,4,5-trimethyl-6H-pyrrolo[2,3-c]pyridin-7-one

1,4,5-trimethyl-6H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 90213415) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 1,4,5-trimethyl-6H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name1,4,5-trimethyl-6H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID90213415
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name1,4,5-trimethyl-6H-pyrrolo[2,3-c]pyridin-7-one
SMILESCc1[nH]c(=O)c2c(ccn2C)c1C
InChIInChI=1S/C10H12N2O/c1-6-7(2)11-10(13)9-8(6)4-5-12(9)3/h4-5H,1-3H3,(H,11,13)
InChIKeyLQLBFOSVEYIKJW-UHFFFAOYSA-N
XLogP1.48
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4,5-trimethyl-6H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 1,4,5-trimethyl-6H-pyrrolo[2,3-c]pyridin-7-one (CID 90213415) is 1,4,5-trimethyl-6H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 1,4,5-trimethyl-6H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 1,4,5-trimethyl-6H-pyrrolo[2,3-c]pyridin-7-one is Cc1[nH]c(=O)c2c(ccn2C)c1C.
What is the InChIKey of 1,4,5-trimethyl-6H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is LQLBFOSVEYIKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-6-7(2)11-10(13)9-8(6)4-5-12(9)3/h4-5H,1-3H3,(H,11,13).
What are the key properties of 1,4,5-trimethyl-6H-pyrrolo[2,3-c]pyridin-7-one?
1,4,5-trimethyl-6H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 176.22 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5-trimethyl-6H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 90213415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).