(Z)-but-2-enedioic acid;(Z)-2-propan-2-yloxybut-2-enamide

C11H17NO6 — CID 155368207

IUPAC(Z)-but-2-enedioic acid;(Z)-2-propan-2-yloxybut-2-enamide
SMILESC/C=C(\OC(C)C)C(N)=O.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C7H13NO2.C4H4O4/c1-4-6(7(8)9)10-5(2)3;5-3(6)1-2-4(7)8/h4-5H,1-3H3,(H2,8,9);1-2H,(H,5,6)(H,7,8)/b6-4-;2-1-
InChIKeyDOWFGCDUYCIIQW-YQKCAVJMSA-N
MW259.26 g/mol
LogP0.51
Rot. Bonds5

About (Z)-but-2-enedioic acid;(Z)-2-propan-2-yloxybut-2-enamide

(Z)-but-2-enedioic acid;(Z)-2-propan-2-yloxybut-2-enamide (PubChem CID 155368207) has the molecular formula C11H17NO6 and a molecular weight of 259.26 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;(Z)-2-propan-2-yloxybut-2-enamide.

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;(Z)-2-propan-2-yloxybut-2-enamide
PubChem CID155368207
Molecular FormulaC11H17NO6
Molecular Weight259.26 g/mol
Exact Mass259.11
IUPAC Name(Z)-but-2-enedioic acid;(Z)-2-propan-2-yloxybut-2-enamide
SMILESC/C=C(\OC(C)C)C(N)=O.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C7H13NO2.C4H4O4/c1-4-6(7(8)9)10-5(2)3;5-3(6)1-2-4(7)8/h4-5H,1-3H3,(H2,8,9);1-2H,(H,5,6)(H,7,8)/b6-4-;2-1-
InChIKeyDOWFGCDUYCIIQW-YQKCAVJMSA-N
XLogP0.51
TPSA126.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-but-2-enedioic acid;propan-2-yl 3-methylbutanoate
CID 175001165
4-oxo-4-(2-propan-2-yloxycarbonyloxyethoxy)but-2-enoic acid
CID 91591713
(E)-but-2-enedioic acid;oxo-bis(propan-2-yloxycarbonyloxymethoxy)phosphanium
CID 162304663
(Z)-but-2-enedioic acid;2-methylpropanoic acid
CID 175222424
but-2-enedioic acid;propan-2-ylhydrazine
CID 159437299
(E)-5-hydroxy-4-oxohex-2-enoic acid
CID 134350395
but-2-enamide;but-2-enedioic acid
CID 159670404
propan-2-yl (E)-2-prop-2-enoxybut-2-enoate
CID 25228919
(Z)-4-(3-aminobutan-2-yloxy)-4-oxobut-2-enoic acid
CID 88513418
5-amino-6-hydroxy-4-oxohept-2-enoic acid
CID 173433315
bis((E)-but-2-enedioic acid);hydrazine
CID 174490734
4-(1-cyclopropylethoxy)-4-oxobut-2-enoic acid
CID 171145916

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioic acid;(Z)-2-propan-2-yloxybut-2-enamide?
The IUPAC name of (Z)-but-2-enedioic acid;(Z)-2-propan-2-yloxybut-2-enamide (CID 155368207) is (Z)-but-2-enedioic acid;(Z)-2-propan-2-yloxybut-2-enamide.
What is the SMILES notation for (Z)-but-2-enedioic acid;(Z)-2-propan-2-yloxybut-2-enamide?
The canonical SMILES for (Z)-but-2-enedioic acid;(Z)-2-propan-2-yloxybut-2-enamide is C/C=C(\OC(C)C)C(N)=O.O=C(O)/C=C\C(=O)O.
What is the InChIKey of (Z)-but-2-enedioic acid;(Z)-2-propan-2-yloxybut-2-enamide?
The InChIKey is DOWFGCDUYCIIQW-YQKCAVJMSA-N. The full InChI is InChI=1S/C7H13NO2.C4H4O4/c1-4-6(7(8)9)10-5(2)3;5-3(6)1-2-4(7)8/h4-5H,1-3H3,(H2,8,9);1-2H,(H,5,6)(H,7,8)/b6-4-;2-1-.
What are the key properties of (Z)-but-2-enedioic acid;(Z)-2-propan-2-yloxybut-2-enamide?
(Z)-but-2-enedioic acid;(Z)-2-propan-2-yloxybut-2-enamide has a molecular weight of 259.26 g/mol, XLogP of 0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioic acid;(Z)-2-propan-2-yloxybut-2-enamide is sourced from PubChem (CID 155368207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).