7a-morpholin-4-yl-4,5,6,7-tetrahydro-1-benzofuran-2-one

C12H17NO3 — CID 4615045

IUPAC7a-morpholin-4-yl-4,5,6,7-tetrahydro-1-benzofuran-2-one
SMILESO=C1C=C2CCCCC2(N2CCOCC2)O1
InChIInChI=1S/C12H17NO3/c14-11-9-10-3-1-2-4-12(10,16-11)13-5-7-15-8-6-13/h9H,1-8H2
InChIKeyCCYWSTNXMRDASD-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.07
Rot. Bonds1

About 7a-morpholin-4-yl-4,5,6,7-tetrahydro-1-benzofuran-2-one

7a-morpholin-4-yl-4,5,6,7-tetrahydro-1-benzofuran-2-one (PubChem CID 4615045) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 7a-morpholin-4-yl-4,5,6,7-tetrahydro-1-benzofuran-2-one.

Molecular Properties

Compound Name7a-morpholin-4-yl-4,5,6,7-tetrahydro-1-benzofuran-2-one
PubChem CID4615045
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name7a-morpholin-4-yl-4,5,6,7-tetrahydro-1-benzofuran-2-one
SMILESO=C1C=C2CCCCC2(N2CCOCC2)O1
InChIInChI=1S/C12H17NO3/c14-11-9-10-3-1-2-4-12(10,16-11)13-5-7-15-8-6-13/h9H,1-8H2
InChIKeyCCYWSTNXMRDASD-UHFFFAOYSA-N
XLogP1.07
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7a-morpholin-4-yl-4,5,6,7-tetrahydro-1-benzofuran-2-one?
The IUPAC name of 7a-morpholin-4-yl-4,5,6,7-tetrahydro-1-benzofuran-2-one (CID 4615045) is 7a-morpholin-4-yl-4,5,6,7-tetrahydro-1-benzofuran-2-one.
What is the SMILES notation for 7a-morpholin-4-yl-4,5,6,7-tetrahydro-1-benzofuran-2-one?
The canonical SMILES for 7a-morpholin-4-yl-4,5,6,7-tetrahydro-1-benzofuran-2-one is O=C1C=C2CCCCC2(N2CCOCC2)O1.
What is the InChIKey of 7a-morpholin-4-yl-4,5,6,7-tetrahydro-1-benzofuran-2-one?
The InChIKey is CCYWSTNXMRDASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c14-11-9-10-3-1-2-4-12(10,16-11)13-5-7-15-8-6-13/h9H,1-8H2.
What are the key properties of 7a-morpholin-4-yl-4,5,6,7-tetrahydro-1-benzofuran-2-one?
7a-morpholin-4-yl-4,5,6,7-tetrahydro-1-benzofuran-2-one has a molecular weight of 223.27 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-morpholin-4-yl-4,5,6,7-tetrahydro-1-benzofuran-2-one is sourced from PubChem (CID 4615045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).