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

C16H22N2O2 — CID 116634670

IUPAC2,3-dihydro-1H-indol-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone
SMILESO=C(C1Cc2ccccc2N1)N1CCCCCC1CO
InChIInChI=1S/C16H22N2O2/c19-11-13-7-2-1-5-9-18(13)16(20)15-10-12-6-3-4-8-14(12)17-15/h3-4,6,8,13,15,17,19H,1-2,5,7,9-11H2
InChIKeyASRCCLISSOGOCG-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.79
Rot. Bonds2

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

2,3-dihydro-1H-indol-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone (PubChem CID 116634670) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone
PubChem CID116634670
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2,3-dihydro-1H-indol-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone
SMILESO=C(C1Cc2ccccc2N1)N1CCCCCC1CO
InChIInChI=1S/C16H22N2O2/c19-11-13-7-2-1-5-9-18(13)16(20)15-10-12-6-3-4-8-14(12)17-15/h3-4,6,8,13,15,17,19H,1-2,5,7,9-11H2
InChIKeyASRCCLISSOGOCG-UHFFFAOYSA-N
XLogP1.79
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1H-indol-2-yl-(2-ethylpyrrolidin-1-yl)methanone
CID 76895259
2-[1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]pyrrolidin-2-yl]acetic acid
CID 61371354
2,3-dihydro-1H-inden-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 106893221
2,3-dihydro-1H-inden-2-yl-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 54377731
1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]piperidine-2-carboxylic acid
CID 61158469
[(2S)-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone
CID 61148628
[(2R)-2,3-dihydro-1H-indol-2-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 124591695
[(2R)-2,3-dihydro-1H-indol-2-yl]-[(3R)-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 124591703
2,3-dihydro-1H-indol-2-yl-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 76894849
azepan-2-yl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107217930
azepan-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116634620
methyl 1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]pyrrolidine-2-carboxylate
CID 61163706

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indol-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone?
The IUPAC name of 2,3-dihydro-1H-indol-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone (CID 116634670) is 2,3-dihydro-1H-indol-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1H-indol-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone?
The canonical SMILES for 2,3-dihydro-1H-indol-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone is O=C(C1Cc2ccccc2N1)N1CCCCCC1CO.
What is the InChIKey of 2,3-dihydro-1H-indol-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone?
The InChIKey is ASRCCLISSOGOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-11-13-7-2-1-5-9-18(13)16(20)15-10-12-6-3-4-8-14(12)17-15/h3-4,6,8,13,15,17,19H,1-2,5,7,9-11H2.
What are the key properties of 2,3-dihydro-1H-indol-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone?
2,3-dihydro-1H-indol-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone has a molecular weight of 274.36 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indol-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone is sourced from PubChem (CID 116634670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).