(E)-but-2-enedioic acid;2-ethyl-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione

C15H22N2O6 — CID 6441670

IUPAC(E)-but-2-enedioic acid;2-ethyl-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione
SMILESCCN1C(=O)CC2(CCN(C)CC2)C1=O.O=C(O)/C=C/C(=O)O
InChIInChI=1S/C11H18N2O2.C4H4O4/c1-3-13-9(14)8-11(10(13)15)4-6-12(2)7-5-11;5-3(6)1-2-4(7)8/h3-8H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKeyMRURBURAOWLXAM-WLHGVMLRSA-N
MW326.35 g/mol
LogP0.19
Rot. Bonds3

About (E)-but-2-enedioic acid;2-ethyl-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione

(E)-but-2-enedioic acid;2-ethyl-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione (PubChem CID 6441670) has the molecular formula C15H22N2O6 and a molecular weight of 326.35 g/mol. Its IUPAC name is (E)-but-2-enedioic acid;2-ethyl-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name(E)-but-2-enedioic acid;2-ethyl-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione
PubChem CID6441670
Molecular FormulaC15H22N2O6
Molecular Weight326.35 g/mol
Exact Mass326.15
IUPAC Name(E)-but-2-enedioic acid;2-ethyl-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione
SMILESCCN1C(=O)CC2(CCN(C)CC2)C1=O.O=C(O)/C=C/C(=O)O
InChIInChI=1S/C11H18N2O2.C4H4O4/c1-3-13-9(14)8-11(10(13)15)4-6-12(2)7-5-11;5-3(6)1-2-4(7)8/h3-8H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKeyMRURBURAOWLXAM-WLHGVMLRSA-N
XLogP0.19
TPSA115.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 (E)-but-2-enedioic acid;2-ethyl-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione?
The IUPAC name of (E)-but-2-enedioic acid;2-ethyl-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione (CID 6441670) is (E)-but-2-enedioic acid;2-ethyl-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for (E)-but-2-enedioic acid;2-ethyl-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione?
The canonical SMILES for (E)-but-2-enedioic acid;2-ethyl-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione is CCN1C(=O)CC2(CCN(C)CC2)C1=O.O=C(O)/C=C/C(=O)O.
What is the InChIKey of (E)-but-2-enedioic acid;2-ethyl-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione?
The InChIKey is MRURBURAOWLXAM-WLHGVMLRSA-N. The full InChI is InChI=1S/C11H18N2O2.C4H4O4/c1-3-13-9(14)8-11(10(13)15)4-6-12(2)7-5-11;5-3(6)1-2-4(7)8/h3-8H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+.
What are the key properties of (E)-but-2-enedioic acid;2-ethyl-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione?
(E)-but-2-enedioic acid;2-ethyl-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione has a molecular weight of 326.35 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-but-2-enedioic acid;2-ethyl-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 6441670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).