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

C9H12N2O — CID 143479703

IUPAC1,6-dimethyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCC1Cc2c(ccn2C)C(=O)N1
InChIInChI=1S/C9H12N2O/c1-6-5-8-7(9(12)10-6)3-4-11(8)2/h3-4,6H,5H2,1-2H3,(H,10,12)
InChIKeyKSZACMPDTOJOKK-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.70
Rot. Bonds

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

1,6-dimethyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 143479703) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 1,6-dimethyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name1,6-dimethyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID143479703
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name1,6-dimethyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCC1Cc2c(ccn2C)C(=O)N1
InChIInChI=1S/C9H12N2O/c1-6-5-8-7(9(12)10-6)3-4-11(8)2/h3-4,6H,5H2,1-2H3,(H,10,12)
InChIKeyKSZACMPDTOJOKK-UHFFFAOYSA-N
XLogP0.70
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 1,6-dimethyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (CID 143479703) is 1,6-dimethyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 1,6-dimethyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 1,6-dimethyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is CC1Cc2c(ccn2C)C(=O)N1.
What is the InChIKey of 1,6-dimethyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is KSZACMPDTOJOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-6-5-8-7(9(12)10-6)3-4-11(8)2/h3-4,6H,5H2,1-2H3,(H,10,12).
What are the key properties of 1,6-dimethyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
1,6-dimethyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 164.21 g/mol, XLogP of 0.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 143479703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).