3,7-dimethyl-2-propan-2-yl-1,5-dihydropyrrolo[3,2-c]pyridin-6-one

C12H16N2O — CID 22091765

IUPAC3,7-dimethyl-2-propan-2-yl-1,5-dihydropyrrolo[3,2-c]pyridin-6-one
SMILESCc1c(C(C)C)[nH]c2c(C)c(=O)[nH]cc12
InChIInChI=1S/C12H16N2O/c1-6(2)10-7(3)9-5-13-12(15)8(4)11(9)14-10/h5-6,14H,1-4H3,(H,13,15)
InChIKeyXPKAGWDWYHXOLO-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.60
Rot. Bonds1

About 3,7-dimethyl-2-propan-2-yl-1,5-dihydropyrrolo[3,2-c]pyridin-6-one

3,7-dimethyl-2-propan-2-yl-1,5-dihydropyrrolo[3,2-c]pyridin-6-one (PubChem CID 22091765) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 3,7-dimethyl-2-propan-2-yl-1,5-dihydropyrrolo[3,2-c]pyridin-6-one.

Molecular Properties

Compound Name3,7-dimethyl-2-propan-2-yl-1,5-dihydropyrrolo[3,2-c]pyridin-6-one
PubChem CID22091765
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name3,7-dimethyl-2-propan-2-yl-1,5-dihydropyrrolo[3,2-c]pyridin-6-one
SMILESCc1c(C(C)C)[nH]c2c(C)c(=O)[nH]cc12
InChIInChI=1S/C12H16N2O/c1-6(2)10-7(3)9-5-13-12(15)8(4)11(9)14-10/h5-6,14H,1-4H3,(H,13,15)
InChIKeyXPKAGWDWYHXOLO-UHFFFAOYSA-N
XLogP2.60
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

6-methyl-1H,2H,3H,5H,6H-pyrrolo[2,3-c]pyridin-5-one
CID 71758441
2-Methyl-1H-pyrrolo[3,2-c]pyridin-6-ol
CID 53413097
1,3-dimethyl-2-propan-2-yl-6H-pyrrolo[2,3-c]pyridin-5-one
CID 59974883
1,3-dimethyl-2-propan-2-yl-5H-pyrrolo[3,2-c]pyridin-6-one
CID 59974886
N,2-di(ethyl)-1-methyl-5-tritio-3H-pyrrol-3-ide-4-carboxamide;ethane;tungsten(2+);vanadium;yttrium
CID 60094081
3-(Aminomethyl)-1,5-dihydropyrrolo[3,2-c]pyridin-6-one
CID 68532236
2-(Ethylamino)cyclohexa-1,5-diene-1-carboxamide
CID 70333092
(Z)-2-methyl-3-(propylamino)hex-2-enamide
CID 87503829
(E)-3-(ethylamino)-2-methylhex-2-enamide
CID 87738730
2-Propan-2-yl-1,5-dihydropyrrolo[3,2-c]pyridin-6-one
CID 89034163
(Z)-3-(butylamino)-2-methylhex-2-enamide
CID 140659487
ethane;N-ethyl-2,4,5-trimethyl-6-oxo-1H-pyridine-3-carboxamide
CID 142476326

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-2-propan-2-yl-1,5-dihydropyrrolo[3,2-c]pyridin-6-one?
The IUPAC name of 3,7-dimethyl-2-propan-2-yl-1,5-dihydropyrrolo[3,2-c]pyridin-6-one (CID 22091765) is 3,7-dimethyl-2-propan-2-yl-1,5-dihydropyrrolo[3,2-c]pyridin-6-one.
What is the SMILES notation for 3,7-dimethyl-2-propan-2-yl-1,5-dihydropyrrolo[3,2-c]pyridin-6-one?
The canonical SMILES for 3,7-dimethyl-2-propan-2-yl-1,5-dihydropyrrolo[3,2-c]pyridin-6-one is Cc1c(C(C)C)[nH]c2c(C)c(=O)[nH]cc12.
What is the InChIKey of 3,7-dimethyl-2-propan-2-yl-1,5-dihydropyrrolo[3,2-c]pyridin-6-one?
The InChIKey is XPKAGWDWYHXOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-6(2)10-7(3)9-5-13-12(15)8(4)11(9)14-10/h5-6,14H,1-4H3,(H,13,15).
What are the key properties of 3,7-dimethyl-2-propan-2-yl-1,5-dihydropyrrolo[3,2-c]pyridin-6-one?
3,7-dimethyl-2-propan-2-yl-1,5-dihydropyrrolo[3,2-c]pyridin-6-one has a molecular weight of 204.27 g/mol, XLogP of 2.60, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-2-propan-2-yl-1,5-dihydropyrrolo[3,2-c]pyridin-6-one is sourced from PubChem (CID 22091765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).