(3Z)-1-butyl-3-(1-butyl-2,5-dioxopyrrolidin-3-ylidene)pyrrolidine-2,5-dione

C16H22N2O4 — CID 5383031

IUPAC(3Z)-1-butyl-3-(1-butyl-2,5-dioxopyrrolidin-3-ylidene)pyrrolidine-2,5-dione
SMILESCCCCN1C(=O)C/C(=C2\CC(=O)N(CCCC)C2=O)C1=O
InChIInChI=1S/C16H22N2O4/c1-3-5-7-17-13(19)9-11(15(17)21)12-10-14(20)18(16(12)22)8-6-4-2/h3-10H2,1-2H3/b12-11-
InChIKeySFKLBYNSZPLPQX-QXMHVHEDSA-N
MW306.36 g/mol
LogP1.40
Rot. Bonds6

About (3Z)-1-butyl-3-(1-butyl-2,5-dioxopyrrolidin-3-ylidene)pyrrolidine-2,5-dione

(3Z)-1-butyl-3-(1-butyl-2,5-dioxopyrrolidin-3-ylidene)pyrrolidine-2,5-dione (PubChem CID 5383031) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is (3Z)-1-butyl-3-(1-butyl-2,5-dioxopyrrolidin-3-ylidene)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3Z)-1-butyl-3-(1-butyl-2,5-dioxopyrrolidin-3-ylidene)pyrrolidine-2,5-dione
PubChem CID5383031
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name(3Z)-1-butyl-3-(1-butyl-2,5-dioxopyrrolidin-3-ylidene)pyrrolidine-2,5-dione
SMILESCCCCN1C(=O)C/C(=C2\CC(=O)N(CCCC)C2=O)C1=O
InChIInChI=1S/C16H22N2O4/c1-3-5-7-17-13(19)9-11(15(17)21)12-10-14(20)18(16(12)22)8-6-4-2/h3-10H2,1-2H3/b12-11-
InChIKeySFKLBYNSZPLPQX-QXMHVHEDSA-N
XLogP1.40
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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)-1-butyl-3-(1-butyl-2,5-dioxopyrrolidin-3-ylidene)pyrrolidine-2,5-dione?
The IUPAC name of (3Z)-1-butyl-3-(1-butyl-2,5-dioxopyrrolidin-3-ylidene)pyrrolidine-2,5-dione (CID 5383031) is (3Z)-1-butyl-3-(1-butyl-2,5-dioxopyrrolidin-3-ylidene)pyrrolidine-2,5-dione.
What is the SMILES notation for (3Z)-1-butyl-3-(1-butyl-2,5-dioxopyrrolidin-3-ylidene)pyrrolidine-2,5-dione?
The canonical SMILES for (3Z)-1-butyl-3-(1-butyl-2,5-dioxopyrrolidin-3-ylidene)pyrrolidine-2,5-dione is CCCCN1C(=O)C/C(=C2\CC(=O)N(CCCC)C2=O)C1=O.
What is the InChIKey of (3Z)-1-butyl-3-(1-butyl-2,5-dioxopyrrolidin-3-ylidene)pyrrolidine-2,5-dione?
The InChIKey is SFKLBYNSZPLPQX-QXMHVHEDSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-3-5-7-17-13(19)9-11(15(17)21)12-10-14(20)18(16(12)22)8-6-4-2/h3-10H2,1-2H3/b12-11-.
What are the key properties of (3Z)-1-butyl-3-(1-butyl-2,5-dioxopyrrolidin-3-ylidene)pyrrolidine-2,5-dione?
(3Z)-1-butyl-3-(1-butyl-2,5-dioxopyrrolidin-3-ylidene)pyrrolidine-2,5-dione has a molecular weight of 306.36 g/mol, XLogP of 1.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-butyl-3-(1-butyl-2,5-dioxopyrrolidin-3-ylidene)pyrrolidine-2,5-dione is sourced from PubChem (CID 5383031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).