1-cyclohexylpyrrole-2,5-dione;methyl 2-methylprop-2-enoate

C15H21NO4 — CID 19016614

IUPAC1-cyclohexylpyrrole-2,5-dione;methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.O=C1C=CC(=O)N1C1CCCCC1
InChIInChI=1S/C10H13NO2.C5H8O2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8;1-4(2)5(6)7-3/h6-8H,1-5H2;1H2,2-3H3
InChIKeyOJSJLNIPAVPEAK-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.98
Rot. Bonds2

About 1-cyclohexylpyrrole-2,5-dione;methyl 2-methylprop-2-enoate

1-cyclohexylpyrrole-2,5-dione;methyl 2-methylprop-2-enoate (PubChem CID 19016614) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-cyclohexylpyrrole-2,5-dione;methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-cyclohexylpyrrole-2,5-dione;methyl 2-methylprop-2-enoate
PubChem CID19016614
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name1-cyclohexylpyrrole-2,5-dione;methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.O=C1C=CC(=O)N1C1CCCCC1
InChIInChI=1S/C10H13NO2.C5H8O2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8;1-4(2)5(6)7-3/h6-8H,1-5H2;1H2,2-3H3
InChIKeyOJSJLNIPAVPEAK-UHFFFAOYSA-N
XLogP1.98
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1-cyclohexylpyrrole-2,5-dione;methyl 2-methylprop-2-enoate?
The IUPAC name of 1-cyclohexylpyrrole-2,5-dione;methyl 2-methylprop-2-enoate (CID 19016614) is 1-cyclohexylpyrrole-2,5-dione;methyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-cyclohexylpyrrole-2,5-dione;methyl 2-methylprop-2-enoate?
The canonical SMILES for 1-cyclohexylpyrrole-2,5-dione;methyl 2-methylprop-2-enoate is C=C(C)C(=O)OC.O=C1C=CC(=O)N1C1CCCCC1.
What is the InChIKey of 1-cyclohexylpyrrole-2,5-dione;methyl 2-methylprop-2-enoate?
The InChIKey is OJSJLNIPAVPEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2.C5H8O2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8;1-4(2)5(6)7-3/h6-8H,1-5H2;1H2,2-3H3.
What are the key properties of 1-cyclohexylpyrrole-2,5-dione;methyl 2-methylprop-2-enoate?
1-cyclohexylpyrrole-2,5-dione;methyl 2-methylprop-2-enoate has a molecular weight of 279.34 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylpyrrole-2,5-dione;methyl 2-methylprop-2-enoate is sourced from PubChem (CID 19016614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).