(2,5-dioxopyrrolidin-1-yl) 5-(morpholin-4-ylmethyl)furan-2-carboxylate

C14H16N2O6 — CID 87558954

IUPAC(2,5-dioxopyrrolidin-1-yl) 5-(morpholin-4-ylmethyl)furan-2-carboxylate
SMILESO=C(ON1C(=O)CCC1=O)c1ccc(CN2CCOCC2)o1
InChIInChI=1S/C14H16N2O6/c17-12-3-4-13(18)16(12)22-14(19)11-2-1-10(21-11)9-15-5-7-20-8-6-15/h1-2H,3-9H2
InChIKeyDXWHPKJFHSKPSU-UHFFFAOYSA-N
MW308.29 g/mol
LogP0.33
Rot. Bonds4

About (2,5-dioxopyrrolidin-1-yl) 5-(morpholin-4-ylmethyl)furan-2-carboxylate

(2,5-dioxopyrrolidin-1-yl) 5-(morpholin-4-ylmethyl)furan-2-carboxylate (PubChem CID 87558954) has the molecular formula C14H16N2O6 and a molecular weight of 308.29 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 5-(morpholin-4-ylmethyl)furan-2-carboxylate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 5-(morpholin-4-ylmethyl)furan-2-carboxylate
PubChem CID87558954
Molecular FormulaC14H16N2O6
Molecular Weight308.29 g/mol
Exact Mass308.10
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 5-(morpholin-4-ylmethyl)furan-2-carboxylate
SMILESO=C(ON1C(=O)CCC1=O)c1ccc(CN2CCOCC2)o1
InChIInChI=1S/C14H16N2O6/c17-12-3-4-13(18)16(12)22-14(19)11-2-1-10(21-11)9-15-5-7-20-8-6-15/h1-2H,3-9H2
InChIKeyDXWHPKJFHSKPSU-UHFFFAOYSA-N
XLogP0.33
TPSA89.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (2,5-dioxopyrrolidin-1-yl) 5-(morpholin-4-ylmethyl)furan-2-carboxylate with MolForge

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Related Compounds

4-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]morpholine
CID 155546801
methyl 5-[[4-[(5-methoxycarbonylfuran-2-yl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate
CID 652979
CID 162740801
CID 162740801
2-[4,7-bis(carboxymethyl)-10-[[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 146551010
methyl 5-[[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]methyl]furan-2-carboxylate
CID 79827347
methyl 5-[[4-(4-hydroxyphenyl)piperazin-1-yl]methyl]furan-2-carboxylate
CID 8689991
methyl 5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]furan-2-carboxylate
CID 63596044
methyl 4-(morpholin-4-ylmethyl)benzoate
CID 10466592
morpholin-4-yl-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone
CID 35762490
5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid
CID 63170170
oxalic acid;5-(piperidin-1-ylmethyl)furan-2-carboxylic acid
CID 45156284
5-[(4-ethylpiperazin-1-yl)methyl]furan-2-carboxylic acid
CID 20992392

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 5-(morpholin-4-ylmethyl)furan-2-carboxylate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 5-(morpholin-4-ylmethyl)furan-2-carboxylate (CID 87558954) is (2,5-dioxopyrrolidin-1-yl) 5-(morpholin-4-ylmethyl)furan-2-carboxylate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 5-(morpholin-4-ylmethyl)furan-2-carboxylate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 5-(morpholin-4-ylmethyl)furan-2-carboxylate is O=C(ON1C(=O)CCC1=O)c1ccc(CN2CCOCC2)o1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 5-(morpholin-4-ylmethyl)furan-2-carboxylate?
The InChIKey is DXWHPKJFHSKPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O6/c17-12-3-4-13(18)16(12)22-14(19)11-2-1-10(21-11)9-15-5-7-20-8-6-15/h1-2H,3-9H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 5-(morpholin-4-ylmethyl)furan-2-carboxylate?
(2,5-dioxopyrrolidin-1-yl) 5-(morpholin-4-ylmethyl)furan-2-carboxylate has a molecular weight of 308.29 g/mol, XLogP of 0.33, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 5-(morpholin-4-ylmethyl)furan-2-carboxylate is sourced from PubChem (CID 87558954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).