Dimethyl (Z)-but-2-enedioate;pyrrolidin-2-one

Name: Dimethyl (Z)-but-2-enedioate;pyrrolidin-2-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₀H₁₅NO₅ — CID 174540881

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACdimethyl (Z)-but-2-enedioate;pyrrolidin-2-one

SMILESCOC(=O)/C=C\C(=O)OC.O=C1CCCN1

InChIInChI=1S/C6H8O4.C4H7NO/c1-9-5(7)3-4-6(8)10-2;6-4-2-1-3-5-4/h3-4H,1-2H3;1-3H2,(H,5,6)/b4-3-;

InChIKeyANKQZVMRVZSMLK-LNKPDPKZSA-N

MW229.23 g/mol

LogP-0.22

Rot. Bonds2

About Dimethyl (Z)-but-2-enedioate;pyrrolidin-2-one

Dimethyl (Z)-but-2-enedioate;pyrrolidin-2-one (PubChem CID 174540881) has the molecular formula C₁₀H₁₅NO₅ and a molecular weight of 229.23 g/mol. Its IUPAC name is dimethyl (Z)-but-2-enedioate;pyrrolidin-2-one.

Molecular Properties

Compound Name	Dimethyl (Z)-but-2-enedioate;pyrrolidin-2-one
PubChem CID	174540881
Molecular Formula	C₁₀H₁₅NO₅
Molecular Weight	229.23 g/mol
Exact Mass	229.10
IUPAC Name	dimethyl (Z)-but-2-enedioate;pyrrolidin-2-one
SMILES	COC(=O)/C=C\C(=O)OC.O=C1CCCN1
InChI	InChI=1S/C6H8O4.C4H7NO/c1-9-5(7)3-4-6(8)10-2;6-4-2-1-3-5-4/h3-4H,1-2H3;1-3H2,(H,5,6)/b4-3-;
InChIKey	ANKQZVMRVZSMLK-LNKPDPKZSA-N
XLogP	-0.22
TPSA	81.70 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	2
Heavy Atoms	16
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	229.23
LogP ≤ 5	-0.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Dimethyl (Z)-but-2-enedioate;pyrrolidin-2-one?

The IUPAC name of Dimethyl (Z)-but-2-enedioate;pyrrolidin-2-one (CID 174540881) is dimethyl (Z)-but-2-enedioate;pyrrolidin-2-one.

What is the SMILES notation for Dimethyl (Z)-but-2-enedioate;pyrrolidin-2-one?

The canonical SMILES for Dimethyl (Z)-but-2-enedioate;pyrrolidin-2-one is COC(=O)/C=C\C(=O)OC.O=C1CCCN1.

What is the InChIKey of Dimethyl (Z)-but-2-enedioate;pyrrolidin-2-one?

The InChIKey is ANKQZVMRVZSMLK-LNKPDPKZSA-N. The full InChI is InChI=1S/C6H8O4.C4H7NO/c1-9-5(7)3-4-6(8)10-2;6-4-2-1-3-5-4/h3-4H,1-2H3;1-3H2,(H,5,6)/b4-3-;.

What are the key properties of Dimethyl (Z)-but-2-enedioate;pyrrolidin-2-one?

Dimethyl (Z)-but-2-enedioate;pyrrolidin-2-one has a molecular weight of 229.23 g/mol, XLogP of -0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Dimethyl (Z)-but-2-enedioate;pyrrolidin-2-one is sourced from PubChem (CID 174540881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 174540881 — identifiers, structure, computed properties (public domain)

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