1,2,2-trimethyl-3,4-dihydropyrrolo[3,2-b]pyridin-5-one;trihydrochloride

C10H17Cl3N2O — CID 168851021

IUPAC1,2,2-trimethyl-3,4-dihydropyrrolo[3,2-b]pyridin-5-one;trihydrochloride
SMILESCN1c2ccc(=O)[nH]c2CC1(C)C.Cl.Cl.Cl
InChIInChI=1S/C10H14N2O.3ClH/c1-10(2)6-7-8(12(10)3)4-5-9(13)11-7;;;/h4-5H,6H2,1-3H3,(H,11,13);3*1H
InChIKeyFWMMXZZZEOLELS-UHFFFAOYSA-N
MW287.62 g/mol
LogP2.41
Rot. Bonds

About 1,2,2-trimethyl-3,4-dihydropyrrolo[3,2-b]pyridin-5-one;trihydrochloride

1,2,2-trimethyl-3,4-dihydropyrrolo[3,2-b]pyridin-5-one;trihydrochloride (PubChem CID 168851021) has the molecular formula C10H17Cl3N2O and a molecular weight of 287.62 g/mol. Its IUPAC name is 1,2,2-trimethyl-3,4-dihydropyrrolo[3,2-b]pyridin-5-one;trihydrochloride.

Molecular Properties

Compound Name1,2,2-trimethyl-3,4-dihydropyrrolo[3,2-b]pyridin-5-one;trihydrochloride
PubChem CID168851021
Molecular FormulaC10H17Cl3N2O
Molecular Weight287.62 g/mol
Exact Mass286.04
IUPAC Name1,2,2-trimethyl-3,4-dihydropyrrolo[3,2-b]pyridin-5-one;trihydrochloride
SMILESCN1c2ccc(=O)[nH]c2CC1(C)C.Cl.Cl.Cl
InChIInChI=1S/C10H14N2O.3ClH/c1-10(2)6-7-8(12(10)3)4-5-9(13)11-7;;;/h4-5H,6H2,1-3H3,(H,11,13);3*1H
InChIKeyFWMMXZZZEOLELS-UHFFFAOYSA-N
XLogP2.41
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.62
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,2-trimethyl-3,4-dihydropyrrolo[3,2-b]pyridin-5-one;trihydrochloride?
The IUPAC name of 1,2,2-trimethyl-3,4-dihydropyrrolo[3,2-b]pyridin-5-one;trihydrochloride (CID 168851021) is 1,2,2-trimethyl-3,4-dihydropyrrolo[3,2-b]pyridin-5-one;trihydrochloride.
What is the SMILES notation for 1,2,2-trimethyl-3,4-dihydropyrrolo[3,2-b]pyridin-5-one;trihydrochloride?
The canonical SMILES for 1,2,2-trimethyl-3,4-dihydropyrrolo[3,2-b]pyridin-5-one;trihydrochloride is CN1c2ccc(=O)[nH]c2CC1(C)C.Cl.Cl.Cl.
What is the InChIKey of 1,2,2-trimethyl-3,4-dihydropyrrolo[3,2-b]pyridin-5-one;trihydrochloride?
The InChIKey is FWMMXZZZEOLELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O.3ClH/c1-10(2)6-7-8(12(10)3)4-5-9(13)11-7;;;/h4-5H,6H2,1-3H3,(H,11,13);3*1H.
What are the key properties of 1,2,2-trimethyl-3,4-dihydropyrrolo[3,2-b]pyridin-5-one;trihydrochloride?
1,2,2-trimethyl-3,4-dihydropyrrolo[3,2-b]pyridin-5-one;trihydrochloride has a molecular weight of 287.62 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trimethyl-3,4-dihydropyrrolo[3,2-b]pyridin-5-one;trihydrochloride is sourced from PubChem (CID 168851021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).