4-(3H-inden-1-yl)-1-morpholin-4-ylbutan-1-one

C17H21NO2 — CID 46230958

IUPAC4-(3H-inden-1-yl)-1-morpholin-4-ylbutan-1-one
SMILESO=C(CCCC1=CCc2ccccc21)N1CCOCC1
InChIInChI=1S/C17H21NO2/c19-17(18-10-12-20-13-11-18)7-3-5-15-9-8-14-4-1-2-6-16(14)15/h1-2,4,6,9H,3,5,7-8,10-13H2
InChIKeyUPWQQAAPNFRFEG-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.66
Rot. Bonds4

About 4-(3H-inden-1-yl)-1-morpholin-4-ylbutan-1-one

4-(3H-inden-1-yl)-1-morpholin-4-ylbutan-1-one (PubChem CID 46230958) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-(3H-inden-1-yl)-1-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name4-(3H-inden-1-yl)-1-morpholin-4-ylbutan-1-one
PubChem CID46230958
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name4-(3H-inden-1-yl)-1-morpholin-4-ylbutan-1-one
SMILESO=C(CCCC1=CCc2ccccc21)N1CCOCC1
InChIInChI=1S/C17H21NO2/c19-17(18-10-12-20-13-11-18)7-3-5-15-9-8-14-4-1-2-6-16(14)15/h1-2,4,6,9H,3,5,7-8,10-13H2
InChIKeyUPWQQAAPNFRFEG-UHFFFAOYSA-N
XLogP2.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3H-inden-1-yl)-1-morpholin-4-ylbutan-1-one?
The IUPAC name of 4-(3H-inden-1-yl)-1-morpholin-4-ylbutan-1-one (CID 46230958) is 4-(3H-inden-1-yl)-1-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 4-(3H-inden-1-yl)-1-morpholin-4-ylbutan-1-one?
The canonical SMILES for 4-(3H-inden-1-yl)-1-morpholin-4-ylbutan-1-one is O=C(CCCC1=CCc2ccccc21)N1CCOCC1.
What is the InChIKey of 4-(3H-inden-1-yl)-1-morpholin-4-ylbutan-1-one?
The InChIKey is UPWQQAAPNFRFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c19-17(18-10-12-20-13-11-18)7-3-5-15-9-8-14-4-1-2-6-16(14)15/h1-2,4,6,9H,3,5,7-8,10-13H2.
What are the key properties of 4-(3H-inden-1-yl)-1-morpholin-4-ylbutan-1-one?
4-(3H-inden-1-yl)-1-morpholin-4-ylbutan-1-one has a molecular weight of 271.36 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3H-inden-1-yl)-1-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 46230958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).