2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1-morpholin-4-ylethanone

C14H17NO4 — CID 7332710

IUPAC2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1-morpholin-4-ylethanone
SMILESO=C(C[C@H]1COc2ccccc2O1)N1CCOCC1
InChIInChI=1S/C14H17NO4/c16-14(15-5-7-17-8-6-15)9-11-10-18-12-3-1-2-4-13(12)19-11/h1-4,11H,5-10H2/t11-/m0/s1
InChIKeyIEOOERGULJRLIM-NSHDSACASA-N
MW263.29 g/mol
LogP1.08
Rot. Bonds2

About 2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1-morpholin-4-ylethanone

2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1-morpholin-4-ylethanone (PubChem CID 7332710) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1-morpholin-4-ylethanone
PubChem CID7332710
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1-morpholin-4-ylethanone
SMILESO=C(C[C@H]1COc2ccccc2O1)N1CCOCC1
InChIInChI=1S/C14H17NO4/c16-14(15-5-7-17-8-6-15)9-11-10-18-12-3-1-2-4-13(12)19-11/h1-4,11H,5-10H2/t11-/m0/s1
InChIKeyIEOOERGULJRLIM-NSHDSACASA-N
XLogP1.08
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-morpholin-4-yl-2-oxoacetamide
CID 2237644
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-[3-(fluoromethyl)pyrrolidin-1-yl]ethanone
CID 163351429
3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 974800
2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]acetate
CID 7304761
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-(4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl)ethanone
CID 128559841
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-morpholin-4-ylpropanamide
CID 45154797
2-[[5-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone
CID 2155880
2-[[5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone
CID 2155879
5-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-1,5-benzoxazepin-4-one
CID 18105390
2,3-dihydro-1,4-benzodioxin-3-yl(morpholin-4-yl)methanimine
CID 65351501
1-(4-benzylpiperazin-1-yl)-3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]propan-1-one
CID 7647522
1-(4-benzylpiperazin-1-yl)-3-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]propan-1-one
CID 7647518

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1-morpholin-4-ylethanone (CID 7332710) is 2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1-morpholin-4-ylethanone is O=C(C[C@H]1COc2ccccc2O1)N1CCOCC1.
What is the InChIKey of 2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1-morpholin-4-ylethanone?
The InChIKey is IEOOERGULJRLIM-NSHDSACASA-N. The full InChI is InChI=1S/C14H17NO4/c16-14(15-5-7-17-8-6-15)9-11-10-18-12-3-1-2-4-13(12)19-11/h1-4,11H,5-10H2/t11-/m0/s1.
What are the key properties of 2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1-morpholin-4-ylethanone?
2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1-morpholin-4-ylethanone has a molecular weight of 263.29 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 7332710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).