1-benzofuran-3-yl(morpholin-3-yl)methanone

C13H13NO3 — CID 116919658

IUPAC1-benzofuran-3-yl(morpholin-3-yl)methanone
SMILESO=C(c1coc2ccccc12)C1COCCN1
InChIInChI=1S/C13H13NO3/c15-13(11-8-16-6-5-14-11)10-7-17-12-4-2-1-3-9(10)12/h1-4,7,11,14H,5-6,8H2
InChIKeyWVEQOKHVUZORMS-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.60
Rot. Bonds2

About 1-benzofuran-3-yl(morpholin-3-yl)methanone

1-benzofuran-3-yl(morpholin-3-yl)methanone (PubChem CID 116919658) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 1-benzofuran-3-yl(morpholin-3-yl)methanone.

Molecular Properties

Compound Name1-benzofuran-3-yl(morpholin-3-yl)methanone
PubChem CID116919658
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name1-benzofuran-3-yl(morpholin-3-yl)methanone
SMILESO=C(c1coc2ccccc12)C1COCCN1
InChIInChI=1S/C13H13NO3/c15-13(11-8-16-6-5-14-11)10-7-17-12-4-2-1-3-9(10)12/h1-4,7,11,14H,5-6,8H2
InChIKeyWVEQOKHVUZORMS-UHFFFAOYSA-N
XLogP1.60
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-azabicyclo[3.2.1]octan-3-yl(1-benzofuran-3-yl)methanone
CID 171945810
[2-(2-methoxyethoxy)phenyl]-morpholin-3-ylmethanone
CID 116576351
(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-morpholin-3-ylmethanone
CID 116919627
9-azabicyclo[3.3.1]nonan-3-yl(1-benzofuran-3-yl)methanone
CID 171945820
N-ethyl-N-(oxolan-3-yl)-1-benzofuran-3-carboxamide
CID 136544061
1,3-benzoxazol-6-yl(morpholin-3-yl)methanone
CID 116919637
(3S)-N-(2-hydroxyphenyl)morpholine-3-carboxamide
CID 96998659
(4-methoxy-3-pyridinyl)-[(3R)-morpholin-3-yl]methanone;hydrochloride
CID 178103013
N-(1-benzothiophen-3-yl)morpholine-3-carboxamide
CID 115177568
(2-amino-5-methyl-3-pyridinyl)-morpholin-3-ylmethanone
CID 116576396
benzyl (3S)-morpholine-3-carboxylate;hydrochloride
CID 46839500
benzyl (3R)-morpholine-3-carboxylate;hydrochloride
CID 46839509

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-3-yl(morpholin-3-yl)methanone?
The IUPAC name of 1-benzofuran-3-yl(morpholin-3-yl)methanone (CID 116919658) is 1-benzofuran-3-yl(morpholin-3-yl)methanone.
What is the SMILES notation for 1-benzofuran-3-yl(morpholin-3-yl)methanone?
The canonical SMILES for 1-benzofuran-3-yl(morpholin-3-yl)methanone is O=C(c1coc2ccccc12)C1COCCN1.
What is the InChIKey of 1-benzofuran-3-yl(morpholin-3-yl)methanone?
The InChIKey is WVEQOKHVUZORMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c15-13(11-8-16-6-5-14-11)10-7-17-12-4-2-1-3-9(10)12/h1-4,7,11,14H,5-6,8H2.
What are the key properties of 1-benzofuran-3-yl(morpholin-3-yl)methanone?
1-benzofuran-3-yl(morpholin-3-yl)methanone has a molecular weight of 231.25 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-3-yl(morpholin-3-yl)methanone is sourced from PubChem (CID 116919658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).