2,5-dioxopyrrolidine-3-carbaldehyde;methanol

C6H9NO4 — CID 162389558

IUPAC2,5-dioxopyrrolidine-3-carbaldehyde;methanol
SMILESCO.O=CC1CC(=O)NC1=O
InChIInChI=1S/C5H5NO3.CH4O/c7-2-3-1-4(8)6-5(3)9;1-2/h2-3H,1H2,(H,6,8,9);2H,1H3
InChIKeyAUAKNEGVMKCPKM-UHFFFAOYSA-N
MW159.14 g/mol
LogP-1.54
Rot. Bonds1

About 2,5-dioxopyrrolidine-3-carbaldehyde;methanol

2,5-dioxopyrrolidine-3-carbaldehyde;methanol (PubChem CID 162389558) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is 2,5-dioxopyrrolidine-3-carbaldehyde;methanol.

Molecular Properties

Compound Name2,5-dioxopyrrolidine-3-carbaldehyde;methanol
PubChem CID162389558
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Name2,5-dioxopyrrolidine-3-carbaldehyde;methanol
SMILESCO.O=CC1CC(=O)NC1=O
InChIInChI=1S/C5H5NO3.CH4O/c7-2-3-1-4(8)6-5(3)9;1-2/h2-3H,1H2,(H,6,8,9);2H,1H3
InChIKeyAUAKNEGVMKCPKM-UHFFFAOYSA-N
XLogP-1.54
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-1.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2,5-dioxopyrrolidine-3-carbaldehyde;methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(E)-prop-1-enyl]pyrrolidine-2,5-dione
CID 21217415
(3S)-3-hydroxypyrrolidine-2,5-dione
CID 66575038
(3S)-3-(methylamino)pyrrolidine-2,5-dione
CID 98340872
3-undec-1-enylpyrrolidine-2,5-dione
CID 70619717
3-[(E)-hexadec-1-enyl]pyrrolidine-2,5-dione
CID 23513051
3-hydroxypyrrolidine-2,5-dione;phosphane
CID 155059355
CID 66653042
CID 66653042
3-(2,5-dioxopyrrolidine-3-carbonyl)pyrrolidine-2,5-dione
CID 146327361
methyl N-(2,5-dioxopyrrolidin-3-yl)carbamate
CID 110459456
3-hydroperoxypyrrolidine-2,5-dione
CID 141263831
3-(hydroxyamino)pyrrolidine-2,5-dione
CID 22569755
(3R)-3-methylsulfanylpyrrolidine-2,5-dione
CID 130632888

Frequently Asked Questions

What is the IUPAC name of 2,5-dioxopyrrolidine-3-carbaldehyde;methanol?
The IUPAC name of 2,5-dioxopyrrolidine-3-carbaldehyde;methanol (CID 162389558) is 2,5-dioxopyrrolidine-3-carbaldehyde;methanol.
What is the SMILES notation for 2,5-dioxopyrrolidine-3-carbaldehyde;methanol?
The canonical SMILES for 2,5-dioxopyrrolidine-3-carbaldehyde;methanol is CO.O=CC1CC(=O)NC1=O.
What is the InChIKey of 2,5-dioxopyrrolidine-3-carbaldehyde;methanol?
The InChIKey is AUAKNEGVMKCPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO3.CH4O/c7-2-3-1-4(8)6-5(3)9;1-2/h2-3H,1H2,(H,6,8,9);2H,1H3.
What are the key properties of 2,5-dioxopyrrolidine-3-carbaldehyde;methanol?
2,5-dioxopyrrolidine-3-carbaldehyde;methanol has a molecular weight of 159.14 g/mol, XLogP of -1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dioxopyrrolidine-3-carbaldehyde;methanol is sourced from PubChem (CID 162389558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).