1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone

C14H18N2O2 — CID 71684022

IUPAC1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone
SMILESCC(=O)N1CCc2cc(N3CCOCC3)ccc21
InChIInChI=1S/C14H18N2O2/c1-11(17)16-5-4-12-10-13(2-3-14(12)16)15-6-8-18-9-7-15/h2-3,10H,4-9H2,1H3
InChIKeyQEYDMGRVAUIQPE-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.43
Rot. Bonds1

About 1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone

1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone (PubChem CID 71684022) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone
PubChem CID71684022
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone
SMILESCC(=O)N1CCc2cc(N3CCOCC3)ccc21
InChIInChI=1S/C14H18N2O2/c1-11(17)16-5-4-12-10-13(2-3-14(12)16)15-6-8-18-9-7-15/h2-3,10H,4-9H2,1H3
InChIKeyQEYDMGRVAUIQPE-UHFFFAOYSA-N
XLogP1.43
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(1-acetyl-2,3-dihydroindol-5-yl)piperazin-1-yl]ethanone
CID 82537881
(4-methylphenyl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone
CID 110316193
2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 60592778
N-[3-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 110355069
5-morpholin-4-yl-N-phenyl-2,3-dihydroindole-1-carboxamide
CID 110316221
2-methyl-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-3-phenylpropan-1-one
CID 110355070
(3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95098497
(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone
CID 110634556
2-(3,4-dimethoxyphenyl)-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone
CID 110316227
1-acetyl-N-(2-morpholin-4-ylphenyl)-2,3-dihydroindole-5-carboxamide
CID 51265668
(3-tert-butyl-5-methyl-1,2-oxazol-4-yl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone
CID 110634555
N-(1-acetyl-2,3-dihydroindol-6-yl)-2-(4-morpholin-4-ylphenyl)acetamide
CID 110627232

Frequently Asked Questions

What is the IUPAC name of 1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone (CID 71684022) is 1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone is CC(=O)N1CCc2cc(N3CCOCC3)ccc21.
What is the InChIKey of 1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is QEYDMGRVAUIQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-11(17)16-5-4-12-10-13(2-3-14(12)16)15-6-8-18-9-7-15/h2-3,10H,4-9H2,1H3.
What are the key properties of 1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone?
1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 246.31 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 71684022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).