ethane;6-methyl-1,3-dihydropyrrolo[3,2-b]pyridin-2-one

C10H14N2O — CID 171527396

IUPACethane;6-methyl-1,3-dihydropyrrolo[3,2-b]pyridin-2-one
SMILESCC.Cc1cnc2c(c1)NC(=O)C2
InChIInChI=1S/C8H8N2O.C2H6/c1-5-2-7-6(9-4-5)3-8(11)10-7;1-2/h2,4H,3H2,1H3,(H,10,11);1-2H3
InChIKeyCLJVTPOVZFUOEV-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.91
Rot. Bonds

About ethane;6-methyl-1,3-dihydropyrrolo[3,2-b]pyridin-2-one

ethane;6-methyl-1,3-dihydropyrrolo[3,2-b]pyridin-2-one (PubChem CID 171527396) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is ethane;6-methyl-1,3-dihydropyrrolo[3,2-b]pyridin-2-one.

Molecular Properties

Compound Nameethane;6-methyl-1,3-dihydropyrrolo[3,2-b]pyridin-2-one
PubChem CID171527396
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Nameethane;6-methyl-1,3-dihydropyrrolo[3,2-b]pyridin-2-one
SMILESCC.Cc1cnc2c(c1)NC(=O)C2
InChIInChI=1S/C8H8N2O.C2H6/c1-5-2-7-6(9-4-5)3-8(11)10-7;1-2/h2,4H,3H2,1H3,(H,10,11);1-2H3
InChIKeyCLJVTPOVZFUOEV-UHFFFAOYSA-N
XLogP1.91
TPSA41.99 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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methoxy-1,3-dihydropyrrolo[3,2-b]pyridin-2-one
CID 123135540
3,7-dimethyl-1,4-dihydropyrido[3,2-d]pyrimidin-2-one;ethane
CID 170981748
8-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one
CID 79306298
(4S)-4,8-dimethyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one
CID 97047881
6,7-dimethyl-1,3-dihydropyrrolo[3,2-b]pyridin-2-one
CID 123135461
5,6-dichloro-1,3-dihydropyrrolo[3,2-b]pyridin-2-one
CID 10631965
4-(4-chlorophenyl)-7-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
CID 79306006
ethane;6-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 143766696
ethane;5-methyl-1,3-dihydroindol-2-one
CID 91234498
3,3,4,7-tetramethyl-1H-pyrido[2,3-b]pyrazin-2-one
CID 79307036
6-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 20752822
6-chloro-5-methyl-1,3-dihydroindol-2-one;ethane
CID 144928829

Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-1,3-dihydropyrrolo[3,2-b]pyridin-2-one?
The IUPAC name of ethane;6-methyl-1,3-dihydropyrrolo[3,2-b]pyridin-2-one (CID 171527396) is ethane;6-methyl-1,3-dihydropyrrolo[3,2-b]pyridin-2-one.
What is the SMILES notation for ethane;6-methyl-1,3-dihydropyrrolo[3,2-b]pyridin-2-one?
The canonical SMILES for ethane;6-methyl-1,3-dihydropyrrolo[3,2-b]pyridin-2-one is CC.Cc1cnc2c(c1)NC(=O)C2.
What is the InChIKey of ethane;6-methyl-1,3-dihydropyrrolo[3,2-b]pyridin-2-one?
The InChIKey is CLJVTPOVZFUOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O.C2H6/c1-5-2-7-6(9-4-5)3-8(11)10-7;1-2/h2,4H,3H2,1H3,(H,10,11);1-2H3.
What are the key properties of ethane;6-methyl-1,3-dihydropyrrolo[3,2-b]pyridin-2-one?
ethane;6-methyl-1,3-dihydropyrrolo[3,2-b]pyridin-2-one has a molecular weight of 178.23 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-1,3-dihydropyrrolo[3,2-b]pyridin-2-one is sourced from PubChem (CID 171527396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).