2,3-dihydro-1H-inden-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone

C17H23NO2 — CID 106893221

IUPAC2,3-dihydro-1H-inden-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone
SMILESO=C(C1Cc2ccccc2C1)N1CCCCCC1CO
InChIInChI=1S/C17H23NO2/c19-12-16-8-2-1-5-9-18(16)17(20)15-10-13-6-3-4-7-14(13)11-15/h3-4,6-7,15-16,19H,1-2,5,8-12H2
InChIKeySOAHWQWFJYTUFI-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.16
Rot. Bonds2

About 2,3-dihydro-1H-inden-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone

2,3-dihydro-1H-inden-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone (PubChem CID 106893221) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone
PubChem CID106893221
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name2,3-dihydro-1H-inden-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone
SMILESO=C(C1Cc2ccccc2C1)N1CCCCCC1CO
InChIInChI=1S/C17H23NO2/c19-12-16-8-2-1-5-9-18(16)17(20)15-10-13-6-3-4-7-14(13)11-15/h3-4,6-7,15-16,19H,1-2,5,8-12H2
InChIKeySOAHWQWFJYTUFI-UHFFFAOYSA-N
XLogP2.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1H-inden-2-yl-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 54377731
[2-(2-chloroethyl)piperidin-1-yl]-(2,3-dihydro-1H-inden-2-yl)methanone
CID 106894184
3,4-dihydro-2H-chromen-3-yl-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421216
2,3-dihydro-1H-indol-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116634670
cyclopentyl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636172
2,3-dihydro-1H-inden-2-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 106893430
cyclopentyl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79030199
4-[2-(hydroxymethyl)azepane-1-carbonyl]pyrrolidin-2-one
CID 116636786
4-[2-(hydroxymethyl)azepane-1-carbonyl]cyclohexane-1-carboxylic acid
CID 116635794
[2-(methylaminomethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 107127304
(2R)-1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 106892375
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(2,3-dihydro-1H-inden-2-yl)methanone
CID 106893347

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone?
The IUPAC name of 2,3-dihydro-1H-inden-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone (CID 106893221) is 2,3-dihydro-1H-inden-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1H-inden-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone?
The canonical SMILES for 2,3-dihydro-1H-inden-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone is O=C(C1Cc2ccccc2C1)N1CCCCCC1CO.
What is the InChIKey of 2,3-dihydro-1H-inden-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone?
The InChIKey is SOAHWQWFJYTUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c19-12-16-8-2-1-5-9-18(16)17(20)15-10-13-6-3-4-7-14(13)11-15/h3-4,6-7,15-16,19H,1-2,5,8-12H2.
What are the key properties of 2,3-dihydro-1H-inden-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone?
2,3-dihydro-1H-inden-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone has a molecular weight of 273.38 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone is sourced from PubChem (CID 106893221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).