2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-1-pyrrolidin-1-ylethanone

C17H23NO3 — CID 25146025

IUPAC2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-1-pyrrolidin-1-ylethanone
SMILESCOc1cc2c(cc1OC)C(CC(=O)N1CCCC1)CC2
InChIInChI=1S/C17H23NO3/c1-20-15-9-12-5-6-13(14(12)11-16(15)21-2)10-17(19)18-7-3-4-8-18/h9,11,13H,3-8,10H2,1-2H3
InChIKeyHFYFDVDPNJKRNV-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.75
Rot. Bonds4

About 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-1-pyrrolidin-1-ylethanone

2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-1-pyrrolidin-1-ylethanone (PubChem CID 25146025) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-1-pyrrolidin-1-ylethanone
PubChem CID25146025
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-1-pyrrolidin-1-ylethanone
SMILESCOc1cc2c(cc1OC)C(CC(=O)N1CCCC1)CC2
InChIInChI=1S/C17H23NO3/c1-20-15-9-12-5-6-13(14(12)11-16(15)21-2)10-17(19)18-7-3-4-8-18/h9,11,13H,3-8,10H2,1-2H3
InChIKeyHFYFDVDPNJKRNV-UHFFFAOYSA-N
XLogP2.75
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-1-piperidin-1-ylethanone
CID 25145905
2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 110649068
2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 39098425
2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-methylacetamide
CID 25147351
2-[2-(cyclooctanecarbonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid
CID 120538376
2-(6-chloro-2,3-dihydro-1H-inden-1-yl)-1-piperidin-1-ylethanone
CID 24881854
2-[2-(2-cycloheptylacetyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid
CID 120538401
2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-methyl-N-phenylacetamide
CID 110649611
(2R)-2-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-1-methylpyrrolidine
CID 178102587
2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-[3-(dimethylamino)propyl]acetamide
CID 110647716
2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 110648738
4-(5-methoxy-6-nitroso-2,3-dihydro-1H-inden-1-yl)-1-pyrrolidin-1-ylbutan-2-one
CID 91235220

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-1-pyrrolidin-1-ylethanone (CID 25146025) is 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-1-pyrrolidin-1-ylethanone is COc1cc2c(cc1OC)C(CC(=O)N1CCCC1)CC2.
What is the InChIKey of 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-1-pyrrolidin-1-ylethanone?
The InChIKey is HFYFDVDPNJKRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-20-15-9-12-5-6-13(14(12)11-16(15)21-2)10-17(19)18-7-3-4-8-18/h9,11,13H,3-8,10H2,1-2H3.
What are the key properties of 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-1-pyrrolidin-1-ylethanone?
2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-1-pyrrolidin-1-ylethanone has a molecular weight of 289.38 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 25146025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).