3-(3-methylphenyl)-1-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)propan-1-one

C17H20N2O — CID 112535684

IUPAC3-(3-methylphenyl)-1-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)propan-1-one
SMILESCc1cccc(CCC(=O)N2CCc3[nH]ccc3C2)c1
InChIInChI=1S/C17H20N2O/c1-13-3-2-4-14(11-13)5-6-17(20)19-10-8-16-15(12-19)7-9-18-16/h2-4,7,9,11,18H,5-6,8,10,12H2,1H3
InChIKeyRPCCNYLNVRLHCB-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.84
Rot. Bonds3

About 3-(3-methylphenyl)-1-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)propan-1-one

3-(3-methylphenyl)-1-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)propan-1-one (PubChem CID 112535684) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-(3-methylphenyl)-1-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)propan-1-one.

Molecular Properties

Compound Name3-(3-methylphenyl)-1-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)propan-1-one
PubChem CID112535684
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name3-(3-methylphenyl)-1-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)propan-1-one
SMILESCc1cccc(CCC(=O)N2CCc3[nH]ccc3C2)c1
InChIInChI=1S/C17H20N2O/c1-13-3-2-4-14(11-13)5-6-17(20)19-10-8-16-15(12-19)7-9-18-16/h2-4,7,9,11,18H,5-6,8,10,12H2,1H3
InChIKeyRPCCNYLNVRLHCB-UHFFFAOYSA-N
XLogP2.84
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(3-methylphenyl)-1-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(3-methylphenyl)propanoyl]piperidin-4-one
CID 55024615
2-(3-methoxyphenyl)-1-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)ethanone
CID 112535627
3-pyrrolidin-1-yl-1-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)propan-1-one
CID 112535595
3-methyl-1-[4-[3-(3-methylphenyl)propanoyl]piperazin-1-yl]butan-1-one
CID 110817715
3-(3-methylphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 127121714
7-(3-methylphenyl)-1-pyrrolidin-1-ylheptan-1-one
CID 155528442
1-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-(3-methylphenyl)propan-1-one
CID 103727453
4-methyl-1-[3-(3-methylphenyl)propanoyl]piperidine-4-carboxylic acid
CID 63123391
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-(3-methoxyphenyl)propan-1-one
CID 134051244
3,3-dimethyl-1-[4-[3-(3-methylphenyl)propanoyl]-1,4-diazepan-1-yl]butan-1-one
CID 110799442
3-(4-fluorophenyl)-1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110666027
1-(3,4-dimethylpiperazin-1-yl)-3-(3-methylphenyl)propan-1-one
CID 110707634

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-1-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)propan-1-one?
The IUPAC name of 3-(3-methylphenyl)-1-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)propan-1-one (CID 112535684) is 3-(3-methylphenyl)-1-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)propan-1-one.
What is the SMILES notation for 3-(3-methylphenyl)-1-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)propan-1-one?
The canonical SMILES for 3-(3-methylphenyl)-1-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)propan-1-one is Cc1cccc(CCC(=O)N2CCc3[nH]ccc3C2)c1.
What is the InChIKey of 3-(3-methylphenyl)-1-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)propan-1-one?
The InChIKey is RPCCNYLNVRLHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13-3-2-4-14(11-13)5-6-17(20)19-10-8-16-15(12-19)7-9-18-16/h2-4,7,9,11,18H,5-6,8,10,12H2,1H3.
What are the key properties of 3-(3-methylphenyl)-1-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)propan-1-one?
3-(3-methylphenyl)-1-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)propan-1-one has a molecular weight of 268.36 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-1-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)propan-1-one is sourced from PubChem (CID 112535684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).