2-methyl-3-(2-oxa-9-azaspiro[4.5]decane-9-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one

C18H23NO4 — CID 72861395

IUPAC2-methyl-3-(2-oxa-9-azaspiro[4.5]decane-9-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one
SMILESCc1oc2c(c1C(=O)N1CCCC3(CCOC3)C1)C(=O)CCC2
InChIInChI=1S/C18H23NO4/c1-12-15(16-13(20)4-2-5-14(16)23-12)17(21)19-8-3-6-18(10-19)7-9-22-11-18/h2-11H2,1H3
InChIKeyMCDMLMOEYMUGQL-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.75
Rot. Bonds1

About 2-methyl-3-(2-oxa-9-azaspiro[4.5]decane-9-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one

2-methyl-3-(2-oxa-9-azaspiro[4.5]decane-9-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one (PubChem CID 72861395) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-methyl-3-(2-oxa-9-azaspiro[4.5]decane-9-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one.

Molecular Properties

Compound Name2-methyl-3-(2-oxa-9-azaspiro[4.5]decane-9-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one
PubChem CID72861395
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC Name2-methyl-3-(2-oxa-9-azaspiro[4.5]decane-9-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one
SMILESCc1oc2c(c1C(=O)N1CCCC3(CCOC3)C1)C(=O)CCC2
InChIInChI=1S/C18H23NO4/c1-12-15(16-13(20)4-2-5-14(16)23-12)17(21)19-8-3-6-18(10-19)7-9-22-11-18/h2-11H2,1H3
InChIKeyMCDMLMOEYMUGQL-UHFFFAOYSA-N
XLogP2.75
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-oxa-9-azaspiro[4.5]decane-9-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one?
The IUPAC name of 2-methyl-3-(2-oxa-9-azaspiro[4.5]decane-9-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one (CID 72861395) is 2-methyl-3-(2-oxa-9-azaspiro[4.5]decane-9-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one.
What is the SMILES notation for 2-methyl-3-(2-oxa-9-azaspiro[4.5]decane-9-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one?
The canonical SMILES for 2-methyl-3-(2-oxa-9-azaspiro[4.5]decane-9-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one is Cc1oc2c(c1C(=O)N1CCCC3(CCOC3)C1)C(=O)CCC2.
What is the InChIKey of 2-methyl-3-(2-oxa-9-azaspiro[4.5]decane-9-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one?
The InChIKey is MCDMLMOEYMUGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-12-15(16-13(20)4-2-5-14(16)23-12)17(21)19-8-3-6-18(10-19)7-9-22-11-18/h2-11H2,1H3.
What are the key properties of 2-methyl-3-(2-oxa-9-azaspiro[4.5]decane-9-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one?
2-methyl-3-(2-oxa-9-azaspiro[4.5]decane-9-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one has a molecular weight of 317.39 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-oxa-9-azaspiro[4.5]decane-9-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one is sourced from PubChem (CID 72861395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).