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

C16H18N2O2 — CID 112535636

IUPAC2-(2-methoxyphenyl)-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)ethanone
SMILESCOc1ccccc1CC(=O)n1ccc2c1CCNC2
InChIInChI=1S/C16H18N2O2/c1-20-15-5-3-2-4-12(15)10-16(19)18-9-7-13-11-17-8-6-14(13)18/h2-5,7,9,17H,6,8,10-11H2,1H3
InChIKeyTXMOOWNVBMXTBR-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.03
Rot. Bonds3

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

2-(2-methoxyphenyl)-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)ethanone (PubChem CID 112535636) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)ethanone
PubChem CID112535636
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-(2-methoxyphenyl)-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)ethanone
SMILESCOc1ccccc1CC(=O)n1ccc2c1CCNC2
InChIInChI=1S/C16H18N2O2/c1-20-15-5-3-2-4-12(15)10-16(19)18-9-7-13-11-17-8-6-14(13)18/h2-5,7,9,17H,6,8,10-11H2,1H3
InChIKeyTXMOOWNVBMXTBR-UHFFFAOYSA-N
XLogP2.03
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-pyridin-2-yl-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)propan-1-one
CID 112535701
5-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 106778058
2-(2-methoxyphenyl)ethanethioic S-acid
CID 122420844
N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 82171879
1-(2-methoxyphenyl)-3-methyl-3-piperazin-1-ylbutan-2-one
CID 116599315
1-(benzimidazol-1-yl)-2-(2-methoxyphenyl)ethanone
CID 3253388
1-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 110818906
3-[3-[(2-methoxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]propanamide
CID 82588181
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone;hydrochloride
CID 119630835
1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-(2-methoxyphenyl)ethanone
CID 121191089
N-(azetidin-3-yl)-2-(2-methoxyphenyl)-N-methylacetamide
CID 66188008
2-(2-methoxyphenyl)-1-(4-methylpiperazin-4-ium-1-yl)ethanone
CID 4739078

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)ethanone?
The IUPAC name of 2-(2-methoxyphenyl)-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)ethanone (CID 112535636) is 2-(2-methoxyphenyl)-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)ethanone.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)ethanone?
The canonical SMILES for 2-(2-methoxyphenyl)-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)ethanone is COc1ccccc1CC(=O)n1ccc2c1CCNC2.
What is the InChIKey of 2-(2-methoxyphenyl)-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)ethanone?
The InChIKey is TXMOOWNVBMXTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-20-15-5-3-2-4-12(15)10-16(19)18-9-7-13-11-17-8-6-14(13)18/h2-5,7,9,17H,6,8,10-11H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)ethanone?
2-(2-methoxyphenyl)-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)ethanone has a molecular weight of 270.33 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)ethanone is sourced from PubChem (CID 112535636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).