1-[5-[(3-methyloxetan-3-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone

C15H20N2O2 — CID 107234999

IUPAC1-[5-[(3-methyloxetan-3-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(NCC3(C)COC3)ccc21
InChIInChI=1S/C15H20N2O2/c1-11(18)17-6-5-12-7-13(3-4-14(12)17)16-8-15(2)9-19-10-15/h3-4,7,16H,5-6,8-10H2,1-2H3
InChIKeyZHIBKFZIUGQILF-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.04
Rot. Bonds3

About 1-[5-[(3-methyloxetan-3-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone

1-[5-[(3-methyloxetan-3-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone (PubChem CID 107234999) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-[5-[(3-methyloxetan-3-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-[(3-methyloxetan-3-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone
PubChem CID107234999
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-[5-[(3-methyloxetan-3-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(NCC3(C)COC3)ccc21
InChIInChI=1S/C15H20N2O2/c1-11(18)17-6-5-12-7-13(3-4-14(12)17)16-8-15(2)9-19-10-15/h3-4,7,16H,5-6,8-10H2,1-2H3
InChIKeyZHIBKFZIUGQILF-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

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Related Compounds

1-[5-(2-methylbutylamino)-2,3-dihydroindol-1-yl]ethanone
CID 43684598
1-[5-(oxolan-3-ylmethylamino)-2,3-dihydroindol-1-yl]ethanone
CID 43684646
1-[5-(2,3-dihydroxypropylamino)-2,3-dihydroindol-1-yl]ethanone
CID 168593573
1-[6-(ethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 83967651
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-(1-acetyl-2,3-dihydroindol-5-yl)-1-(aminomethyl)cyclopropane-1-carboxamide
CID 115452391
methyl 4-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]benzoate
CID 110452261
1-[5-(2,2-diethoxyethylamino)-2,3-dihydroindol-1-yl]ethanone
CID 54285326
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methylphenyl)urea
CID 17485020
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide
CID 63679851
1-[5-[2-(4-chlorophenyl)ethylamino]-2,3-dihydroindol-1-yl]ethanone
CID 110452236

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3-methyloxetan-3-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-[(3-methyloxetan-3-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone (CID 107234999) is 1-[5-[(3-methyloxetan-3-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-[(3-methyloxetan-3-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-[(3-methyloxetan-3-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cc(NCC3(C)COC3)ccc21.
What is the InChIKey of 1-[5-[(3-methyloxetan-3-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is ZHIBKFZIUGQILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11(18)17-6-5-12-7-13(3-4-14(12)17)16-8-15(2)9-19-10-15/h3-4,7,16H,5-6,8-10H2,1-2H3.
What are the key properties of 1-[5-[(3-methyloxetan-3-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone?
1-[5-[(3-methyloxetan-3-yl)methylamino]-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-[(3-methyloxetan-3-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 107234999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).