3-methyl-1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)butan-1-one

C13H20N2O — CID 112535720

IUPAC3-methyl-1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)butan-1-one
SMILESCC(C)CC(=O)N1CCc2c(ccn2C)C1
InChIInChI=1S/C13H20N2O/c1-10(2)8-13(16)15-7-5-12-11(9-15)4-6-14(12)3/h4,6,10H,5,7-9H2,1-3H3
InChIKeyXASJGTOITRTLBY-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.96
Rot. Bonds2

About 3-methyl-1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)butan-1-one

3-methyl-1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)butan-1-one (PubChem CID 112535720) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-methyl-1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)butan-1-one.

Molecular Properties

Compound Name3-methyl-1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)butan-1-one
PubChem CID112535720
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-methyl-1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)butan-1-one
SMILESCC(C)CC(=O)N1CCc2c(ccn2C)C1
InChIInChI=1S/C13H20N2O/c1-10(2)8-13(16)15-7-5-12-11(9-15)4-6-14(12)3/h4,6,10H,5,7-9H2,1-3H3
InChIKeyXASJGTOITRTLBY-UHFFFAOYSA-N
XLogP1.96
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)-2-phenylethanone
CID 112535743
cyclopropyl-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)methanone
CID 112535762
1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)-2-pyridin-3-ylethanone
CID 112535716
3-(4-methoxyphenyl)-1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)propan-1-one
CID 112535781
2-(3-methylbutanoyl)-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 104557225
(3-chlorophenyl)-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)methanone
CID 112535736
1-(6-chloro-3,4-dihydro-1H-2,7-naphthyridin-2-yl)-3-methylbutan-1-one
CID 156864912
1-methyl-4-(3-methylbutanoyl)piperazin-2-one
CID 110708045
(3S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-5-oxopentanoic acid
CID 41244365
3-methyl-N-[3-[5-(3-methylbutanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]butanamide
CID 42784040
N-hydroxy-6-(3-methylbutanoyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
CID 88578323
1-tert-butyl-4-(3-methylbutanoyl)piperazin-2-one
CID 110873631

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)butan-1-one?
The IUPAC name of 3-methyl-1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)butan-1-one (CID 112535720) is 3-methyl-1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)butan-1-one.
What is the SMILES notation for 3-methyl-1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)butan-1-one?
The canonical SMILES for 3-methyl-1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)butan-1-one is CC(C)CC(=O)N1CCc2c(ccn2C)C1.
What is the InChIKey of 3-methyl-1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)butan-1-one?
The InChIKey is XASJGTOITRTLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(2)8-13(16)15-7-5-12-11(9-15)4-6-14(12)3/h4,6,10H,5,7-9H2,1-3H3.
What are the key properties of 3-methyl-1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)butan-1-one?
3-methyl-1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)butan-1-one has a molecular weight of 220.32 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)butan-1-one is sourced from PubChem (CID 112535720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).