(3Z)-3-(4-hydroxybutylidene)pyrrolidine-2,5-dione

C8H11NO3 — CID 87141360

IUPAC(3Z)-3-(4-hydroxybutylidene)pyrrolidine-2,5-dione
SMILESO=C1C/C(=C/CCCO)C(=O)N1
InChIInChI=1S/C8H11NO3/c10-4-2-1-3-6-5-7(11)9-8(6)12/h3,10H,1-2,4-5H2,(H,9,11,12)/b6-3-
InChIKeyNVPXYZYPGMSPLC-UTCJRWHESA-N
MW169.18 g/mol
LogP-0.27
Rot. Bonds3

About (3Z)-3-(4-hydroxybutylidene)pyrrolidine-2,5-dione

(3Z)-3-(4-hydroxybutylidene)pyrrolidine-2,5-dione (PubChem CID 87141360) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is (3Z)-3-(4-hydroxybutylidene)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3Z)-3-(4-hydroxybutylidene)pyrrolidine-2,5-dione
PubChem CID87141360
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name(3Z)-3-(4-hydroxybutylidene)pyrrolidine-2,5-dione
SMILESO=C1C/C(=C/CCCO)C(=O)N1
InChIInChI=1S/C8H11NO3/c10-4-2-1-3-6-5-7(11)9-8(6)12/h3,10H,1-2,4-5H2,(H,9,11,12)/b6-3-
InChIKeyNVPXYZYPGMSPLC-UTCJRWHESA-N
XLogP-0.27
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(4-hydroxybutylidene)pyrrolidine-2,5-dione?
The IUPAC name of (3Z)-3-(4-hydroxybutylidene)pyrrolidine-2,5-dione (CID 87141360) is (3Z)-3-(4-hydroxybutylidene)pyrrolidine-2,5-dione.
What is the SMILES notation for (3Z)-3-(4-hydroxybutylidene)pyrrolidine-2,5-dione?
The canonical SMILES for (3Z)-3-(4-hydroxybutylidene)pyrrolidine-2,5-dione is O=C1C/C(=C/CCCO)C(=O)N1.
What is the InChIKey of (3Z)-3-(4-hydroxybutylidene)pyrrolidine-2,5-dione?
The InChIKey is NVPXYZYPGMSPLC-UTCJRWHESA-N. The full InChI is InChI=1S/C8H11NO3/c10-4-2-1-3-6-5-7(11)9-8(6)12/h3,10H,1-2,4-5H2,(H,9,11,12)/b6-3-.
What are the key properties of (3Z)-3-(4-hydroxybutylidene)pyrrolidine-2,5-dione?
(3Z)-3-(4-hydroxybutylidene)pyrrolidine-2,5-dione has a molecular weight of 169.18 g/mol, XLogP of -0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(4-hydroxybutylidene)pyrrolidine-2,5-dione is sourced from PubChem (CID 87141360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).