1-[[12,24,25-tris[(2-oxopyrrolidin-1-yl)methyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methyl]pyrrolidin-2-one

C40H52N4O10 — CID 3108349

IUPAC1-[[12,24,25-tris[(2-oxopyrrolidin-1-yl)methyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1cc2c(cc1CN1CCCC1=O)OCCOCCOc1cc(CN3CCCC3=O)c(CN3CCCC3=O)cc1OCCOCCO2
InChIInChI=1S/C40H52N4O10/c45-37-5-1-9-41(37)25-29-21-33-34(22-30(29)26-42-10-2-6-38(42)46)52-18-14-50-16-20-54-36-24-32(28-44-12-4-8-40(44)48)31(27-43-11-3-7-39(43)47)23-35(36)53-19-15-49-13-17-51-33/h21-24H,1-20,25-28H2
InChIKeyIBUCDZMFMLYCTK-UHFFFAOYSA-N
MW748.87 g/mol
LogP3.44
Rot. Bonds8

About 1-[[12,24,25-tris[(2-oxopyrrolidin-1-yl)methyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methyl]pyrrolidin-2-one

1-[[12,24,25-tris[(2-oxopyrrolidin-1-yl)methyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methyl]pyrrolidin-2-one (PubChem CID 3108349) has the molecular formula C40H52N4O10 and a molecular weight of 748.87 g/mol. Its IUPAC name is 1-[[12,24,25-tris[(2-oxopyrrolidin-1-yl)methyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[12,24,25-tris[(2-oxopyrrolidin-1-yl)methyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methyl]pyrrolidin-2-one
PubChem CID3108349
Molecular FormulaC40H52N4O10
Molecular Weight748.87 g/mol
Exact Mass748.37
IUPAC Name1-[[12,24,25-tris[(2-oxopyrrolidin-1-yl)methyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1cc2c(cc1CN1CCCC1=O)OCCOCCOc1cc(CN3CCCC3=O)c(CN3CCCC3=O)cc1OCCOCCO2
InChIInChI=1S/C40H52N4O10/c45-37-5-1-9-41(37)25-29-21-33-34(22-30(29)26-42-10-2-6-38(42)46)52-18-14-50-16-20-54-36-24-32(28-44-12-4-8-40(44)48)31(27-43-11-3-7-39(43)47)23-35(36)53-19-15-49-13-17-51-33/h21-24H,1-20,25-28H2
InChIKeyIBUCDZMFMLYCTK-UHFFFAOYSA-N
XLogP3.44
TPSA136.62 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500748.87
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1-[[12,24,25-tris[(2-oxopyrrolidin-1-yl)methyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methyl]pyrrolidin-2-one with MolForge

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Related Compounds

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1-ethylpyrrolidin-2-one;oxolan-2-one
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1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-2-one
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CID 9258728
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CID 18124216
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 17474559
1-[[4-(bromomethyl)-2-iodophenyl]methyl]pyrrolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-[[12,24,25-tris[(2-oxopyrrolidin-1-yl)methyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[12,24,25-tris[(2-oxopyrrolidin-1-yl)methyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methyl]pyrrolidin-2-one (CID 3108349) is 1-[[12,24,25-tris[(2-oxopyrrolidin-1-yl)methyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[12,24,25-tris[(2-oxopyrrolidin-1-yl)methyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[12,24,25-tris[(2-oxopyrrolidin-1-yl)methyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methyl]pyrrolidin-2-one is O=C1CCCN1Cc1cc2c(cc1CN1CCCC1=O)OCCOCCOc1cc(CN3CCCC3=O)c(CN3CCCC3=O)cc1OCCOCCO2.
What is the InChIKey of 1-[[12,24,25-tris[(2-oxopyrrolidin-1-yl)methyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methyl]pyrrolidin-2-one?
The InChIKey is IBUCDZMFMLYCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H52N4O10/c45-37-5-1-9-41(37)25-29-21-33-34(22-30(29)26-42-10-2-6-38(42)46)52-18-14-50-16-20-54-36-24-32(28-44-12-4-8-40(44)48)31(27-43-11-3-7-39(43)47)23-35(36)53-19-15-49-13-17-51-33/h21-24H,1-20,25-28H2.
What are the key properties of 1-[[12,24,25-tris[(2-oxopyrrolidin-1-yl)methyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methyl]pyrrolidin-2-one?
1-[[12,24,25-tris[(2-oxopyrrolidin-1-yl)methyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methyl]pyrrolidin-2-one has a molecular weight of 748.87 g/mol, XLogP of 3.44, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[12,24,25-tris[(2-oxopyrrolidin-1-yl)methyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 3108349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).