[5-[(5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carbonyl)oxymethyl]-2-oxo-1,3-dioxol-4-yl]methyl 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate

C35H28N2O9 — CID 59981455

IUPAC[5-[(5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carbonyl)oxymethyl]-2-oxo-1,3-dioxol-4-yl]methyl 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate
SMILESO=C(c1ccccc1)c1ccc2n1CCC2C(=O)OCc1oc(=O)oc1COC(=O)C1CCn2c(C(=O)c3ccccc3)ccc21
InChIInChI=1S/C35H28N2O9/c38-31(21-7-3-1-4-8-21)27-13-11-25-23(15-17-36(25)27)33(40)43-19-29-30(46-35(42)45-29)20-44-34(41)24-16-18-37-26(24)12-14-28(37)32(39)22-9-5-2-6-10-22/h1-14,23-24H,15-20H2
InChIKeyRVLHSFCOGHXUOU-UHFFFAOYSA-N
MW620.61 g/mol
LogP4.76
Rot. Bonds10

About [5-[(5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carbonyl)oxymethyl]-2-oxo-1,3-dioxol-4-yl]methyl 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate

[5-[(5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carbonyl)oxymethyl]-2-oxo-1,3-dioxol-4-yl]methyl 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate (PubChem CID 59981455) has the molecular formula C35H28N2O9 and a molecular weight of 620.61 g/mol. Its IUPAC name is [5-[(5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carbonyl)oxymethyl]-2-oxo-1,3-dioxol-4-yl]methyl 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate.

Molecular Properties

Compound Name[5-[(5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carbonyl)oxymethyl]-2-oxo-1,3-dioxol-4-yl]methyl 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate
PubChem CID59981455
Molecular FormulaC35H28N2O9
Molecular Weight620.61 g/mol
Exact Mass620.18
IUPAC Name[5-[(5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carbonyl)oxymethyl]-2-oxo-1,3-dioxol-4-yl]methyl 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate
SMILESO=C(c1ccccc1)c1ccc2n1CCC2C(=O)OCc1oc(=O)oc1COC(=O)C1CCn2c(C(=O)c3ccccc3)ccc21
InChIInChI=1S/C35H28N2O9/c38-31(21-7-3-1-4-8-21)27-13-11-25-23(15-17-36(25)27)33(40)43-19-29-30(46-35(42)45-29)20-44-34(41)24-16-18-37-26(24)12-14-28(37)32(39)22-9-5-2-6-10-22/h1-14,23-24H,15-20H2
InChIKeyRVLHSFCOGHXUOU-UHFFFAOYSA-N
XLogP4.76
TPSA139.95 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.61
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze [5-[(5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carbonyl)oxymethyl]-2-oxo-1,3-dioxol-4-yl]methyl 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-[(5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carbonyl)oxymethyl]-2-oxo-1,3-dioxol-4-yl]methyl 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate?
The IUPAC name of [5-[(5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carbonyl)oxymethyl]-2-oxo-1,3-dioxol-4-yl]methyl 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate (CID 59981455) is [5-[(5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carbonyl)oxymethyl]-2-oxo-1,3-dioxol-4-yl]methyl 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate.
What is the SMILES notation for [5-[(5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carbonyl)oxymethyl]-2-oxo-1,3-dioxol-4-yl]methyl 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate?
The canonical SMILES for [5-[(5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carbonyl)oxymethyl]-2-oxo-1,3-dioxol-4-yl]methyl 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate is O=C(c1ccccc1)c1ccc2n1CCC2C(=O)OCc1oc(=O)oc1COC(=O)C1CCn2c(C(=O)c3ccccc3)ccc21.
What is the InChIKey of [5-[(5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carbonyl)oxymethyl]-2-oxo-1,3-dioxol-4-yl]methyl 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate?
The InChIKey is RVLHSFCOGHXUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28N2O9/c38-31(21-7-3-1-4-8-21)27-13-11-25-23(15-17-36(25)27)33(40)43-19-29-30(46-35(42)45-29)20-44-34(41)24-16-18-37-26(24)12-14-28(37)32(39)22-9-5-2-6-10-22/h1-14,23-24H,15-20H2.
What are the key properties of [5-[(5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carbonyl)oxymethyl]-2-oxo-1,3-dioxol-4-yl]methyl 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate?
[5-[(5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carbonyl)oxymethyl]-2-oxo-1,3-dioxol-4-yl]methyl 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate has a molecular weight of 620.61 g/mol, XLogP of 4.76, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carbonyl)oxymethyl]-2-oxo-1,3-dioxol-4-yl]methyl 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate is sourced from PubChem (CID 59981455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).