1-(azepan-1-yl)-2-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxy]ethanone

C17H23NO3 — CID 107684569

IUPAC1-(azepan-1-yl)-2-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxy]ethanone
SMILESO=C(COc1ccc2c(c1)CCC2O)N1CCCCCC1
InChIInChI=1S/C17H23NO3/c19-16-8-5-13-11-14(6-7-15(13)16)21-12-17(20)18-9-3-1-2-4-10-18/h6-7,11,16,19H,1-5,8-10,12H2
InChIKeyIVFQZWKMXXKHRV-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.45
Rot. Bonds3

About 1-(azepan-1-yl)-2-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxy]ethanone

1-(azepan-1-yl)-2-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxy]ethanone (PubChem CID 107684569) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxy]ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxy]ethanone
PubChem CID107684569
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name1-(azepan-1-yl)-2-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxy]ethanone
SMILESO=C(COc1ccc2c(c1)CCC2O)N1CCCCCC1
InChIInChI=1S/C17H23NO3/c19-16-8-5-13-11-14(6-7-15(13)16)21-12-17(20)18-9-3-1-2-4-10-18/h6-7,11,16,19H,1-5,8-10,12H2
InChIKeyIVFQZWKMXXKHRV-UHFFFAOYSA-N
XLogP2.45
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylethanone
CID 63090854
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethanone
CID 18152944
2-(3-hydroxyphenoxy)-1-piperidin-1-ylethanone
CID 43143553
5-(3-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684542
2-(2,3-dihydro-1H-inden-5-yloxy)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 43390762
1-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetyl]piperidine-4-carboxamide
CID 56923124
2-(1,3-benzodioxol-5-yloxy)-1-pyrrolidin-1-ylethanone
CID 6458739
2-[[(7S)-7-[[(2S)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-1-piperidin-1-ylethanone
CID 57253317
2-[4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenoxy]phenoxy]-1-pyrrolidin-1-ylethanone
CID 178065020
2-(3,4-dichlorophenoxy)-1-pyrrolidin-1-ylethanone
CID 2995974
5-[(4-hydroxyphenyl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 107684857
ethyl (3R)-1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]piperidine-3-carboxylate
CID 51969368

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxy]ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxy]ethanone (CID 107684569) is 1-(azepan-1-yl)-2-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxy]ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxy]ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxy]ethanone is O=C(COc1ccc2c(c1)CCC2O)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxy]ethanone?
The InChIKey is IVFQZWKMXXKHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c19-16-8-5-13-11-14(6-7-15(13)16)21-12-17(20)18-9-3-1-2-4-10-18/h6-7,11,16,19H,1-5,8-10,12H2.
What are the key properties of 1-(azepan-1-yl)-2-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxy]ethanone?
1-(azepan-1-yl)-2-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxy]ethanone has a molecular weight of 289.38 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxy]ethanone is sourced from PubChem (CID 107684569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).