ethane;3-methyl-2,6-dihydropyrrolo[2,3-c]pyridin-7-one

C10H14N2O — CID 91403341

IUPACethane;3-methyl-2,6-dihydropyrrolo[2,3-c]pyridin-7-one
SMILESCC.CC1=c2cc[nH]c(=O)c2=NC1
InChIInChI=1S/C8H8N2O.C2H6/c1-5-4-10-7-6(5)2-3-9-8(7)11;1-2/h2-3H,4H2,1H3,(H,9,11);1-2H3
InChIKeyZQUUANGAMDGOFG-UHFFFAOYSA-N
MW178.23 g/mol
LogP0.20
Rot. Bonds

About ethane;3-methyl-2,6-dihydropyrrolo[2,3-c]pyridin-7-one

ethane;3-methyl-2,6-dihydropyrrolo[2,3-c]pyridin-7-one (PubChem CID 91403341) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is ethane;3-methyl-2,6-dihydropyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Nameethane;3-methyl-2,6-dihydropyrrolo[2,3-c]pyridin-7-one
PubChem CID91403341
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Nameethane;3-methyl-2,6-dihydropyrrolo[2,3-c]pyridin-7-one
SMILESCC.CC1=c2cc[nH]c(=O)c2=NC1
InChIInChI=1S/C8H8N2O.C2H6/c1-5-4-10-7-6(5)2-3-9-8(7)11;1-2/h2-3H,4H2,1H3,(H,9,11);1-2H3
InChIKeyZQUUANGAMDGOFG-UHFFFAOYSA-N
XLogP0.20
TPSA45.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-2,6-dihydropyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of ethane;3-methyl-2,6-dihydropyrrolo[2,3-c]pyridin-7-one (CID 91403341) is ethane;3-methyl-2,6-dihydropyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for ethane;3-methyl-2,6-dihydropyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for ethane;3-methyl-2,6-dihydropyrrolo[2,3-c]pyridin-7-one is CC.CC1=c2cc[nH]c(=O)c2=NC1.
What is the InChIKey of ethane;3-methyl-2,6-dihydropyrrolo[2,3-c]pyridin-7-one?
The InChIKey is ZQUUANGAMDGOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O.C2H6/c1-5-4-10-7-6(5)2-3-9-8(7)11;1-2/h2-3H,4H2,1H3,(H,9,11);1-2H3.
What are the key properties of ethane;3-methyl-2,6-dihydropyrrolo[2,3-c]pyridin-7-one?
ethane;3-methyl-2,6-dihydropyrrolo[2,3-c]pyridin-7-one has a molecular weight of 178.23 g/mol, XLogP of 0.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-2,6-dihydropyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 91403341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).