1-[[2-(3-hydroxybenzoyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one

C19H24N2O4 — CID 131692664

IUPAC1-[[2-(3-hydroxybenzoyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC1CCC2(CN(C(=O)c3cccc(O)c3)C2)OC1
InChIInChI=1S/C19H24N2O4/c22-16-4-1-3-15(9-16)18(24)21-12-19(13-21)7-6-14(11-25-19)10-20-8-2-5-17(20)23/h1,3-4,9,14,22H,2,5-8,10-13H2
InChIKeyVEFNNIYREQUVOX-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.64
Rot. Bonds3

About 1-[[2-(3-hydroxybenzoyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one

1-[[2-(3-hydroxybenzoyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one (PubChem CID 131692664) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-[[2-(3-hydroxybenzoyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[2-(3-hydroxybenzoyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one
PubChem CID131692664
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name1-[[2-(3-hydroxybenzoyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC1CCC2(CN(C(=O)c3cccc(O)c3)C2)OC1
InChIInChI=1S/C19H24N2O4/c22-16-4-1-3-15(9-16)18(24)21-12-19(13-21)7-6-14(11-25-19)10-20-8-2-5-17(20)23/h1,3-4,9,14,22H,2,5-8,10-13H2
InChIKeyVEFNNIYREQUVOX-UHFFFAOYSA-N
XLogP1.64
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3-hydroxybenzoyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[2-(3-hydroxybenzoyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one (CID 131692664) is 1-[[2-(3-hydroxybenzoyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[2-(3-hydroxybenzoyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[2-(3-hydroxybenzoyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one is O=C1CCCN1CC1CCC2(CN(C(=O)c3cccc(O)c3)C2)OC1.
What is the InChIKey of 1-[[2-(3-hydroxybenzoyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one?
The InChIKey is VEFNNIYREQUVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c22-16-4-1-3-15(9-16)18(24)21-12-19(13-21)7-6-14(11-25-19)10-20-8-2-5-17(20)23/h1,3-4,9,14,22H,2,5-8,10-13H2.
What are the key properties of 1-[[2-(3-hydroxybenzoyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one?
1-[[2-(3-hydroxybenzoyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one has a molecular weight of 344.41 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3-hydroxybenzoyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 131692664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).