(Z)-but-2-enedioic acid;N-methoxy-N-methylbut-2-enamide

C10H15NO6 — CID 175992507

IUPAC(Z)-but-2-enedioic acid;N-methoxy-N-methylbut-2-enamide
SMILESCC=CC(=O)N(C)OC.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C6H11NO2.C4H4O4/c1-4-5-6(8)7(2)9-3;5-3(6)1-2-4(7)8/h4-5H,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyUPFULQMAIMZXRI-BTJKTKAUSA-N
MW245.23 g/mol
LogP0.29
Rot. Bonds4

About (Z)-but-2-enedioic acid;N-methoxy-N-methylbut-2-enamide

(Z)-but-2-enedioic acid;N-methoxy-N-methylbut-2-enamide (PubChem CID 175992507) has the molecular formula C10H15NO6 and a molecular weight of 245.23 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;N-methoxy-N-methylbut-2-enamide.

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;N-methoxy-N-methylbut-2-enamide
PubChem CID175992507
Molecular FormulaC10H15NO6
Molecular Weight245.23 g/mol
Exact Mass245.09
IUPAC Name(Z)-but-2-enedioic acid;N-methoxy-N-methylbut-2-enamide
SMILESCC=CC(=O)N(C)OC.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C6H11NO2.C4H4O4/c1-4-5-6(8)7(2)9-3;5-3(6)1-2-4(7)8/h4-5H,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyUPFULQMAIMZXRI-BTJKTKAUSA-N
XLogP0.29
TPSA104.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioic acid;N-methoxy-N-methylbut-2-enamide?
The IUPAC name of (Z)-but-2-enedioic acid;N-methoxy-N-methylbut-2-enamide (CID 175992507) is (Z)-but-2-enedioic acid;N-methoxy-N-methylbut-2-enamide.
What is the SMILES notation for (Z)-but-2-enedioic acid;N-methoxy-N-methylbut-2-enamide?
The canonical SMILES for (Z)-but-2-enedioic acid;N-methoxy-N-methylbut-2-enamide is CC=CC(=O)N(C)OC.O=C(O)/C=C\C(=O)O.
What is the InChIKey of (Z)-but-2-enedioic acid;N-methoxy-N-methylbut-2-enamide?
The InChIKey is UPFULQMAIMZXRI-BTJKTKAUSA-N. The full InChI is InChI=1S/C6H11NO2.C4H4O4/c1-4-5-6(8)7(2)9-3;5-3(6)1-2-4(7)8/h4-5H,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-.
What are the key properties of (Z)-but-2-enedioic acid;N-methoxy-N-methylbut-2-enamide?
(Z)-but-2-enedioic acid;N-methoxy-N-methylbut-2-enamide has a molecular weight of 245.23 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioic acid;N-methoxy-N-methylbut-2-enamide is sourced from PubChem (CID 175992507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).