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

C9H14Cl2N2O — CID 155625888

IUPAC3,3-dimethyl-2,6-dihydro-1H-pyrrolo[2,3-c]pyridin-5-one;dihydrochloride
SMILESCC1(C)CNc2c[nH]c(=O)cc21.Cl.Cl
InChIInChI=1S/C9H12N2O.2ClH/c1-9(2)5-11-7-4-10-8(12)3-6(7)9;;/h3-4,11H,5H2,1-2H3,(H,10,12);2*1H
InChIKeyUGDNFIOWJWGIDD-UHFFFAOYSA-N
MW237.13 g/mol
LogP1.92
Rot. Bonds

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

3,3-dimethyl-2,6-dihydro-1H-pyrrolo[2,3-c]pyridin-5-one;dihydrochloride (PubChem CID 155625888) has the molecular formula C9H14Cl2N2O and a molecular weight of 237.13 g/mol. Its IUPAC name is 3,3-dimethyl-2,6-dihydro-1H-pyrrolo[2,3-c]pyridin-5-one;dihydrochloride.

Molecular Properties

Compound Name3,3-dimethyl-2,6-dihydro-1H-pyrrolo[2,3-c]pyridin-5-one;dihydrochloride
PubChem CID155625888
Molecular FormulaC9H14Cl2N2O
Molecular Weight237.13 g/mol
Exact Mass236.05
IUPAC Name3,3-dimethyl-2,6-dihydro-1H-pyrrolo[2,3-c]pyridin-5-one;dihydrochloride
SMILESCC1(C)CNc2c[nH]c(=O)cc21.Cl.Cl
InChIInChI=1S/C9H12N2O.2ClH/c1-9(2)5-11-7-4-10-8(12)3-6(7)9;;/h3-4,11H,5H2,1-2H3,(H,10,12);2*1H
InChIKeyUGDNFIOWJWGIDD-UHFFFAOYSA-N
XLogP1.92
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.13
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2,6-dihydro-1H-pyrrolo[2,3-c]pyridin-5-one;dihydrochloride?
The IUPAC name of 3,3-dimethyl-2,6-dihydro-1H-pyrrolo[2,3-c]pyridin-5-one;dihydrochloride (CID 155625888) is 3,3-dimethyl-2,6-dihydro-1H-pyrrolo[2,3-c]pyridin-5-one;dihydrochloride.
What is the SMILES notation for 3,3-dimethyl-2,6-dihydro-1H-pyrrolo[2,3-c]pyridin-5-one;dihydrochloride?
The canonical SMILES for 3,3-dimethyl-2,6-dihydro-1H-pyrrolo[2,3-c]pyridin-5-one;dihydrochloride is CC1(C)CNc2c[nH]c(=O)cc21.Cl.Cl.
What is the InChIKey of 3,3-dimethyl-2,6-dihydro-1H-pyrrolo[2,3-c]pyridin-5-one;dihydrochloride?
The InChIKey is UGDNFIOWJWGIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O.2ClH/c1-9(2)5-11-7-4-10-8(12)3-6(7)9;;/h3-4,11H,5H2,1-2H3,(H,10,12);2*1H.
What are the key properties of 3,3-dimethyl-2,6-dihydro-1H-pyrrolo[2,3-c]pyridin-5-one;dihydrochloride?
3,3-dimethyl-2,6-dihydro-1H-pyrrolo[2,3-c]pyridin-5-one;dihydrochloride has a molecular weight of 237.13 g/mol, XLogP of 1.92, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2,6-dihydro-1H-pyrrolo[2,3-c]pyridin-5-one;dihydrochloride is sourced from PubChem (CID 155625888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).