1-[5-(oxolan-3-ylmethylamino)-2,3-dihydroindol-1-yl]ethanone

C15H20N2O2 — CID 43684646

IUPAC1-[5-(oxolan-3-ylmethylamino)-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(NCC3CCOC3)ccc21
InChIInChI=1S/C15H20N2O2/c1-11(18)17-6-4-13-8-14(2-3-15(13)17)16-9-12-5-7-19-10-12/h2-3,8,12,16H,4-7,9-10H2,1H3
InChIKeyBYWPRSFIGPGTBR-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.04
Rot. Bonds3

About 1-[5-(oxolan-3-ylmethylamino)-2,3-dihydroindol-1-yl]ethanone

1-[5-(oxolan-3-ylmethylamino)-2,3-dihydroindol-1-yl]ethanone (PubChem CID 43684646) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-[5-(oxolan-3-ylmethylamino)-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-(oxolan-3-ylmethylamino)-2,3-dihydroindol-1-yl]ethanone
PubChem CID43684646
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-[5-(oxolan-3-ylmethylamino)-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(NCC3CCOC3)ccc21
InChIInChI=1S/C15H20N2O2/c1-11(18)17-6-4-13-8-14(2-3-15(13)17)16-9-12-5-7-19-10-12/h2-3,8,12,16H,4-7,9-10H2,1H3
InChIKeyBYWPRSFIGPGTBR-UHFFFAOYSA-N
XLogP2.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[5-(oxolan-3-ylmethylamino)-2,3-dihydroindol-1-yl]ethanone with MolForge

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Related Compounds

3-(1-acetyl-2,3-dihydroindol-5-yl)-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea
CID 75414860
1-[5-[(3-methyloxetan-3-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone
CID 107234999
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119690426
1-[5-[(2-methyloxolan-3-yl)amino]-2,3-dihydroindol-1-yl]ethanone
CID 82727443
1-[5-(2-methylbutylamino)-2,3-dihydroindol-1-yl]ethanone
CID 43684598
1-[6-(ethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 83967651
1-acetyl-N-(oxolan-3-yl)-2,3-dihydroindole-5-sulfonamide
CID 110868865
5-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]furan-2-carbonitrile
CID 115652501
4-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]benzoic acid
CID 110452215
N-(oxolan-3-ylmethyl)-2,3-dihydroindole-1-carboxamide
CID 75690987
1-[5-(2,2-diethoxyethylamino)-2,3-dihydroindol-1-yl]ethanone
CID 54285326
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-aminooxolane-3-carboxamide
CID 66240222

Frequently Asked Questions

What is the IUPAC name of 1-[5-(oxolan-3-ylmethylamino)-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-(oxolan-3-ylmethylamino)-2,3-dihydroindol-1-yl]ethanone (CID 43684646) is 1-[5-(oxolan-3-ylmethylamino)-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-(oxolan-3-ylmethylamino)-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-(oxolan-3-ylmethylamino)-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cc(NCC3CCOC3)ccc21.
What is the InChIKey of 1-[5-(oxolan-3-ylmethylamino)-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is BYWPRSFIGPGTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11(18)17-6-4-13-8-14(2-3-15(13)17)16-9-12-5-7-19-10-12/h2-3,8,12,16H,4-7,9-10H2,1H3.
What are the key properties of 1-[5-(oxolan-3-ylmethylamino)-2,3-dihydroindol-1-yl]ethanone?
1-[5-(oxolan-3-ylmethylamino)-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 260.34 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(oxolan-3-ylmethylamino)-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 43684646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).