1-[(5S,9S)-2-(2,5-dimethylfuran-3-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one

C19H26N2O4 — CID 124810027

IUPAC1-[(5S,9S)-2-(2,5-dimethylfuran-3-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one
SMILESCc1cc(C(=O)N2CC[C@]3(C[C@@H](N4CCCC4=O)CCO3)C2)c(C)o1
InChIInChI=1S/C19H26N2O4/c1-13-10-16(14(2)25-13)18(23)20-8-6-19(12-20)11-15(5-9-24-19)21-7-3-4-17(21)22/h10,15H,3-9,11-12H2,1-2H3/t15-,19-/m0/s1
InChIKeyQODZXOLASWTYBR-KXBFYZLASA-N
MW346.43 g/mol
LogP2.28
Rot. Bonds2

About 1-[(5S,9S)-2-(2,5-dimethylfuran-3-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one

1-[(5S,9S)-2-(2,5-dimethylfuran-3-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one (PubChem CID 124810027) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[(5S,9S)-2-(2,5-dimethylfuran-3-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(5S,9S)-2-(2,5-dimethylfuran-3-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one
PubChem CID124810027
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name1-[(5S,9S)-2-(2,5-dimethylfuran-3-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one
SMILESCc1cc(C(=O)N2CC[C@]3(C[C@@H](N4CCCC4=O)CCO3)C2)c(C)o1
InChIInChI=1S/C19H26N2O4/c1-13-10-16(14(2)25-13)18(23)20-8-6-19(12-20)11-15(5-9-24-19)21-7-3-4-17(21)22/h10,15H,3-9,11-12H2,1-2H3/t15-,19-/m0/s1
InChIKeyQODZXOLASWTYBR-KXBFYZLASA-N
XLogP2.28
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5S,9S)-2-(2,5-dimethylfuran-3-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(5S,9S)-2-(2,5-dimethylfuran-3-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one (CID 124810027) is 1-[(5S,9S)-2-(2,5-dimethylfuran-3-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(5S,9S)-2-(2,5-dimethylfuran-3-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(5S,9S)-2-(2,5-dimethylfuran-3-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one is Cc1cc(C(=O)N2CC[C@]3(C[C@@H](N4CCCC4=O)CCO3)C2)c(C)o1.
What is the InChIKey of 1-[(5S,9S)-2-(2,5-dimethylfuran-3-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one?
The InChIKey is QODZXOLASWTYBR-KXBFYZLASA-N. The full InChI is InChI=1S/C19H26N2O4/c1-13-10-16(14(2)25-13)18(23)20-8-6-19(12-20)11-15(5-9-24-19)21-7-3-4-17(21)22/h10,15H,3-9,11-12H2,1-2H3/t15-,19-/m0/s1.
What are the key properties of 1-[(5S,9S)-2-(2,5-dimethylfuran-3-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one?
1-[(5S,9S)-2-(2,5-dimethylfuran-3-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one has a molecular weight of 346.43 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5S,9S)-2-(2,5-dimethylfuran-3-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one is sourced from PubChem (CID 124810027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).