3,3-dimethyl-6-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-one

C12H16N2O — CID 177158573

IUPAC3,3-dimethyl-6-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-one
SMILESCC(C)c1cnc2c(c1)NC(=O)C2(C)C
InChIInChI=1S/C12H16N2O/c1-7(2)8-5-9-10(13-6-8)12(3,4)11(15)14-9/h5-7H,1-4H3,(H,14,15)
InChIKeyFBDYTFXOXOTIOA-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.43
Rot. Bonds1

About 3,3-dimethyl-6-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-one

3,3-dimethyl-6-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-one (PubChem CID 177158573) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 3,3-dimethyl-6-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-6-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-one
PubChem CID177158573
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name3,3-dimethyl-6-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-one
SMILESCC(C)c1cnc2c(c1)NC(=O)C2(C)C
InChIInChI=1S/C12H16N2O/c1-7(2)8-5-9-10(13-6-8)12(3,4)11(15)14-9/h5-7H,1-4H3,(H,14,15)
InChIKeyFBDYTFXOXOTIOA-UHFFFAOYSA-N
XLogP2.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-one?
The IUPAC name of 3,3-dimethyl-6-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-one (CID 177158573) is 3,3-dimethyl-6-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-one.
What is the SMILES notation for 3,3-dimethyl-6-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-one?
The canonical SMILES for 3,3-dimethyl-6-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-one is CC(C)c1cnc2c(c1)NC(=O)C2(C)C.
What is the InChIKey of 3,3-dimethyl-6-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-one?
The InChIKey is FBDYTFXOXOTIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-7(2)8-5-9-10(13-6-8)12(3,4)11(15)14-9/h5-7H,1-4H3,(H,14,15).
What are the key properties of 3,3-dimethyl-6-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-one?
3,3-dimethyl-6-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-one has a molecular weight of 204.27 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-6-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-one is sourced from PubChem (CID 177158573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).