2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-1-morpholin-4-ylethanone

C17H23NO4 — CID 25145906

IUPAC2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-1-morpholin-4-ylethanone
SMILESCOc1cc2c(cc1OC)C(CC(=O)N1CCOCC1)CC2
InChIInChI=1S/C17H23NO4/c1-20-15-9-12-3-4-13(14(12)11-16(15)21-2)10-17(19)18-5-7-22-8-6-18/h9,11,13H,3-8,10H2,1-2H3
InChIKeyCSQWIXRQAIJDGQ-UHFFFAOYSA-N
MW305.37 g/mol
LogP1.98
Rot. Bonds4

About 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-1-morpholin-4-ylethanone

2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-1-morpholin-4-ylethanone (PubChem CID 25145906) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-1-morpholin-4-ylethanone
PubChem CID25145906
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-1-morpholin-4-ylethanone
SMILESCOc1cc2c(cc1OC)C(CC(=O)N1CCOCC1)CC2
InChIInChI=1S/C17H23NO4/c1-20-15-9-12-3-4-13(14(12)11-16(15)21-2)10-17(19)18-5-7-22-8-6-18/h9,11,13H,3-8,10H2,1-2H3
InChIKeyCSQWIXRQAIJDGQ-UHFFFAOYSA-N
XLogP1.98
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Isopropoxyphenyl)-4-methyl-1-morpholinopentan-1-one
CID 3365865
N-[2-(5,6-Dimethoxy-indan-1-yl)-ethyl]-acetamide
CID 11076291
(4-Methoxyphenyl)cyclopentyl morpholin-4-yl ketone
CID 972908
(2E)-5-methoxy-2-[(4-methoxyphenyl)methylidene]-6-(2-piperidin-1-ylethoxy)-3H-inden-1-one
CID 118717267
5-Methoxy-2-[(4-methoxyphenyl)methyl]-6-(2-piperidin-1-ylethoxy)-2,3-dihydroinden-1-one
CID 168285278
1-(2,6-Dimethylmorpholin-4-yl)-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 24818299
4-[(3,4-Dimethoxyphenyl)acetyl]morpholine
CID 720388
5-Methoxy-6-(2-piperidin-1-ylethoxy)-2,3-dihydroinden-1-one
CID 69201224
3-(4-Methoxyphenyl)-4-methyl-1-(morpholin-4-yl)pentan-1-one
CID 661507
2-Benzyl-5-methoxy-6-(2-piperidin-1-ylethoxy)-2,3-dihydroinden-1-one
CID 70686138
3-(3,4-Dimethoxyphenyl)-1-piperidin-1-ylpropan-1-one
CID 38016131
N-[2-[1-(3,4-dimethoxyphenyl)-4-oxocyclohexyl]ethyl]-N-methylacetamide
CID 163002724

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-1-morpholin-4-ylethanone (CID 25145906) is 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-1-morpholin-4-ylethanone is COc1cc2c(cc1OC)C(CC(=O)N1CCOCC1)CC2.
What is the InChIKey of 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-1-morpholin-4-ylethanone?
The InChIKey is CSQWIXRQAIJDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-20-15-9-12-3-4-13(14(12)11-16(15)21-2)10-17(19)18-5-7-22-8-6-18/h9,11,13H,3-8,10H2,1-2H3.
What are the key properties of 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-1-morpholin-4-ylethanone?
2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-1-morpholin-4-ylethanone has a molecular weight of 305.37 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 25145906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).