3-methyl-7-(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

C16H18N2O5 — CID 56882230

IUPAC3-methyl-7-(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESCN1CC2(CCN(C(=O)c3coc4c3C(=O)CCC4)C2)OC1=O
InChIInChI=1S/C16H18N2O5/c1-17-8-16(23-15(17)21)5-6-18(9-16)14(20)10-7-22-12-4-2-3-11(19)13(10)12/h7H,2-6,8-9H2,1H3
InChIKeyMASZVRMBBNHWKT-UHFFFAOYSA-N
MW318.33 g/mol
LogP1.47
Rot. Bonds1

About 3-methyl-7-(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

3-methyl-7-(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (PubChem CID 56882230) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is 3-methyl-7-(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name3-methyl-7-(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
PubChem CID56882230
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC Name3-methyl-7-(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESCN1CC2(CCN(C(=O)c3coc4c3C(=O)CCC4)C2)OC1=O
InChIInChI=1S/C16H18N2O5/c1-17-8-16(23-15(17)21)5-6-18(9-16)14(20)10-7-22-12-4-2-3-11(19)13(10)12/h7H,2-6,8-9H2,1H3
InChIKeyMASZVRMBBNHWKT-UHFFFAOYSA-N
XLogP1.47
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The IUPAC name of 3-methyl-7-(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (CID 56882230) is 3-methyl-7-(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.
What is the SMILES notation for 3-methyl-7-(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The canonical SMILES for 3-methyl-7-(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is CN1CC2(CCN(C(=O)c3coc4c3C(=O)CCC4)C2)OC1=O.
What is the InChIKey of 3-methyl-7-(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The InChIKey is MASZVRMBBNHWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5/c1-17-8-16(23-15(17)21)5-6-18(9-16)14(20)10-7-22-12-4-2-3-11(19)13(10)12/h7H,2-6,8-9H2,1H3.
What are the key properties of 3-methyl-7-(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
3-methyl-7-(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one has a molecular weight of 318.33 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 56882230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).