2,2-dimethyl-4H-pyrrolo[3,2-b]pyridin-5-one

C9H10N2O — CID 178006974

IUPAC2,2-dimethyl-4H-pyrrolo[3,2-b]pyridin-5-one
SMILESCC1(C)C=c2[nH]c(=O)ccc2=N1
InChIInChI=1S/C9H10N2O/c1-9(2)5-7-6(11-9)3-4-8(12)10-7/h3-5H,1-2H3,(H,10,12)
InChIKeyVMOCUFLRPRHYED-UHFFFAOYSA-N
MW162.19 g/mol
LogP-0.43
Rot. Bonds

About 2,2-dimethyl-4H-pyrrolo[3,2-b]pyridin-5-one

2,2-dimethyl-4H-pyrrolo[3,2-b]pyridin-5-one (PubChem CID 178006974) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 2,2-dimethyl-4H-pyrrolo[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name2,2-dimethyl-4H-pyrrolo[3,2-b]pyridin-5-one
PubChem CID178006974
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name2,2-dimethyl-4H-pyrrolo[3,2-b]pyridin-5-one
SMILESCC1(C)C=c2[nH]c(=O)ccc2=N1
InChIInChI=1S/C9H10N2O/c1-9(2)5-7-6(11-9)3-4-8(12)10-7/h3-5H,1-2H3,(H,10,12)
InChIKeyVMOCUFLRPRHYED-UHFFFAOYSA-N
XLogP-0.43
TPSA45.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-methylbenzotriazol-5-yl)acetamide
CID 66878812
(6E)-6-ethylidene-5-iminopyridin-2-one
CID 166467918
7-Imino-1,4a-dihydroquinolin-2-one
CID 178869350

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4H-pyrrolo[3,2-b]pyridin-5-one?
The IUPAC name of 2,2-dimethyl-4H-pyrrolo[3,2-b]pyridin-5-one (CID 178006974) is 2,2-dimethyl-4H-pyrrolo[3,2-b]pyridin-5-one.
What is the SMILES notation for 2,2-dimethyl-4H-pyrrolo[3,2-b]pyridin-5-one?
The canonical SMILES for 2,2-dimethyl-4H-pyrrolo[3,2-b]pyridin-5-one is CC1(C)C=c2[nH]c(=O)ccc2=N1.
What is the InChIKey of 2,2-dimethyl-4H-pyrrolo[3,2-b]pyridin-5-one?
The InChIKey is VMOCUFLRPRHYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-9(2)5-7-6(11-9)3-4-8(12)10-7/h3-5H,1-2H3,(H,10,12).
What are the key properties of 2,2-dimethyl-4H-pyrrolo[3,2-b]pyridin-5-one?
2,2-dimethyl-4H-pyrrolo[3,2-b]pyridin-5-one has a molecular weight of 162.19 g/mol, XLogP of -0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4H-pyrrolo[3,2-b]pyridin-5-one is sourced from PubChem (CID 178006974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).