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

C10H15NO5 — CID 174540881

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 Namedimethyl (Z)-but-2-enedioate;pyrrolidin-2-one
PubChem CID174540881
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Namedimethyl (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
XLogP-0.22
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Methyl N-butylmaleamate
CID 1820307
N-propyl methyl maleamate
CID 88794297
Methyl 4-(butylamino)-4-oxobut-2-enoate
CID 185230
Methyl 4-(butylamino)-4-oxo-2-butenoate
CID 1820308
methyl (E)-4-oxo-4-(propylamino)but-2-enoate
CID 15334736
Methyl 2-methylprop-2-enoate;pyrrolidin-2-one
CID 19702429
(E)-but-2-enedioic acid;pyrrolidin-2-one
CID 19757929
Methyl 4-oxo-4-(propylamino)but-2-enoate
CID 54157087
(Z)-but-2-enedioic acid;pyrrolidin-2-one
CID 67142425
Ethyl prop-2-enoate;pyrrolidin-2-one
CID 67427827
But-2-enedioic acid;pyrrolidin-2-one
CID 67913684
Ethenyl prop-2-enoate;pyrrolidin-2-one
CID 68619788

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).