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

C16H18N2O — CID 112535634

IUPAC2-(2-methylphenyl)-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)ethanone
SMILESCc1ccccc1CC(=O)n1ccc2c1CCNC2
InChIInChI=1S/C16H18N2O/c1-12-4-2-3-5-13(12)10-16(19)18-9-7-14-11-17-8-6-15(14)18/h2-5,7,9,17H,6,8,10-11H2,1H3
InChIKeyHEJWGPKVZSQIHI-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.33
Rot. Bonds2

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

2-(2-methylphenyl)-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)ethanone (PubChem CID 112535634) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-(2-methylphenyl)-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-methylphenyl)-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)ethanone
PubChem CID112535634
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name2-(2-methylphenyl)-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)ethanone
SMILESCc1ccccc1CC(=O)n1ccc2c1CCNC2
InChIInChI=1S/C16H18N2O/c1-12-4-2-3-5-13(12)10-16(19)18-9-7-14-11-17-8-6-15(14)18/h2-5,7,9,17H,6,8,10-11H2,1H3
InChIKeyHEJWGPKVZSQIHI-UHFFFAOYSA-N
XLogP2.33
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-(2-methoxyphenyl)-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)ethanone
CID 112535636
3-pyridin-2-yl-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)propan-1-one
CID 112535701
3-pyridin-4-yl-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)propan-1-one
CID 112535703
methyl 2-(2-methylphenyl)acetate;4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 144676247
3-(2-methylphenyl)-1-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propan-1-one
CID 119521252
1-(2,3-dihydro-1H-isoindol-5-yl)-2-(2-methylphenyl)ethanone
CID 116613024
2-(2-methylphenyl)acetic acid
CID 67440217
2-(2-methylphenyl)-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone
CID 119311728
2-(2-methylphenyl)-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone
CID 119763352
3-(dimethylamino)-1-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110666193
2-(2-methylphenyl)-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119311727
1-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2-(2-methylphenyl)ethanone
CID 43603862

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)ethanone?
The IUPAC name of 2-(2-methylphenyl)-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)ethanone (CID 112535634) is 2-(2-methylphenyl)-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)ethanone.
What is the SMILES notation for 2-(2-methylphenyl)-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)ethanone?
The canonical SMILES for 2-(2-methylphenyl)-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)ethanone is Cc1ccccc1CC(=O)n1ccc2c1CCNC2.
What is the InChIKey of 2-(2-methylphenyl)-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)ethanone?
The InChIKey is HEJWGPKVZSQIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-12-4-2-3-5-13(12)10-16(19)18-9-7-14-11-17-8-6-15(14)18/h2-5,7,9,17H,6,8,10-11H2,1H3.
What are the key properties of 2-(2-methylphenyl)-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)ethanone?
2-(2-methylphenyl)-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)ethanone has a molecular weight of 254.33 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)ethanone is sourced from PubChem (CID 112535634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).