1-(5-methoxy-2,3-dihydroindol-1-yl)-3-(methylamino)propan-1-one

C13H18N2O2 — CID 83624058

IUPAC1-(5-methoxy-2,3-dihydroindol-1-yl)-3-(methylamino)propan-1-one
SMILESCNCCC(=O)N1CCc2cc(OC)ccc21
InChIInChI=1S/C13H18N2O2/c1-14-7-5-13(16)15-8-6-10-9-11(17-2)3-4-12(10)15/h3-4,9,14H,5-8H2,1-2H3
InChIKeyDHZPEYYNLLIDGH-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.19
Rot. Bonds4

About 1-(5-methoxy-2,3-dihydroindol-1-yl)-3-(methylamino)propan-1-one

1-(5-methoxy-2,3-dihydroindol-1-yl)-3-(methylamino)propan-1-one (PubChem CID 83624058) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(5-methoxy-2,3-dihydroindol-1-yl)-3-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(5-methoxy-2,3-dihydroindol-1-yl)-3-(methylamino)propan-1-one
PubChem CID83624058
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-(5-methoxy-2,3-dihydroindol-1-yl)-3-(methylamino)propan-1-one
SMILESCNCCC(=O)N1CCc2cc(OC)ccc21
InChIInChI=1S/C13H18N2O2/c1-14-7-5-13(16)15-8-6-10-9-11(17-2)3-4-12(10)15/h3-4,9,14H,5-8H2,1-2H3
InChIKeyDHZPEYYNLLIDGH-UHFFFAOYSA-N
XLogP1.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119310079
4-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)pentan-1-one
CID 120561708
1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone
CID 110714096
4-[(5-methoxy-2,3-dihydroindole-1-carbonyl)amino]butanoic acid
CID 122021374
5-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid
CID 43580051
1-(5-methoxy-2,3-dihydroindol-1-yl)-2-morpholin-4-ylethanone
CID 141303253
1-(2,3-dihydroindol-1-yl)-3-(3-methoxyanilino)propan-1-one
CID 109034751
2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one
CID 83624052
1-(6-methoxy-2,3-dihydroindol-1-yl)butane-1,3-dione
CID 19612116
tert-butyl 5-methoxy-2,3-dihydroindole-1-carboxylate
CID 10514762
(5-methoxy-2,3-dihydroindol-1-yl)-phenylmethanone
CID 86659859
(2S)-2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride
CID 119310076

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-2,3-dihydroindol-1-yl)-3-(methylamino)propan-1-one?
The IUPAC name of 1-(5-methoxy-2,3-dihydroindol-1-yl)-3-(methylamino)propan-1-one (CID 83624058) is 1-(5-methoxy-2,3-dihydroindol-1-yl)-3-(methylamino)propan-1-one.
What is the SMILES notation for 1-(5-methoxy-2,3-dihydroindol-1-yl)-3-(methylamino)propan-1-one?
The canonical SMILES for 1-(5-methoxy-2,3-dihydroindol-1-yl)-3-(methylamino)propan-1-one is CNCCC(=O)N1CCc2cc(OC)ccc21.
What is the InChIKey of 1-(5-methoxy-2,3-dihydroindol-1-yl)-3-(methylamino)propan-1-one?
The InChIKey is DHZPEYYNLLIDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-14-7-5-13(16)15-8-6-10-9-11(17-2)3-4-12(10)15/h3-4,9,14H,5-8H2,1-2H3.
What are the key properties of 1-(5-methoxy-2,3-dihydroindol-1-yl)-3-(methylamino)propan-1-one?
1-(5-methoxy-2,3-dihydroindol-1-yl)-3-(methylamino)propan-1-one has a molecular weight of 234.30 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-2,3-dihydroindol-1-yl)-3-(methylamino)propan-1-one is sourced from PubChem (CID 83624058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).