1-cyclohexylpyrrole-2,5-dione;1-dodecylpyrrole-2,5-dione

C26H40N2O4 — CID 67420913

IUPAC1-cyclohexylpyrrole-2,5-dione;1-dodecylpyrrole-2,5-dione
SMILESCCCCCCCCCCCCN1C(=O)C=CC1=O.O=C1C=CC(=O)N1C1CCCCC1
InChIInChI=1S/C16H27NO2.C10H13NO2/c1-2-3-4-5-6-7-8-9-10-11-14-17-15(18)12-13-16(17)19;12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h12-13H,2-11,14H2,1H3;6-8H,1-5H2
InChIKeyUYRHYISWLGFMGA-UHFFFAOYSA-N
MW444.62 g/mol
LogP5.08
Rot. Bonds12

About 1-cyclohexylpyrrole-2,5-dione;1-dodecylpyrrole-2,5-dione

1-cyclohexylpyrrole-2,5-dione;1-dodecylpyrrole-2,5-dione (PubChem CID 67420913) has the molecular formula C26H40N2O4 and a molecular weight of 444.62 g/mol. Its IUPAC name is 1-cyclohexylpyrrole-2,5-dione;1-dodecylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-cyclohexylpyrrole-2,5-dione;1-dodecylpyrrole-2,5-dione
PubChem CID67420913
Molecular FormulaC26H40N2O4
Molecular Weight444.62 g/mol
Exact Mass444.30
IUPAC Name1-cyclohexylpyrrole-2,5-dione;1-dodecylpyrrole-2,5-dione
SMILESCCCCCCCCCCCCN1C(=O)C=CC1=O.O=C1C=CC(=O)N1C1CCCCC1
InChIInChI=1S/C16H27NO2.C10H13NO2/c1-2-3-4-5-6-7-8-9-10-11-14-17-15(18)12-13-16(17)19;12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h12-13H,2-11,14H2,1H3;6-8H,1-5H2
InChIKeyUYRHYISWLGFMGA-UHFFFAOYSA-N
XLogP5.08
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.62
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Mls002608660
CID 239578
1-Hexadecylpyrrole-2,5-dione
CID 4526314
1H-Pyrrole-2,5-dione, 1-dodecyl-
CID 87191
1-octadecyl-1H-pyrrole-2,5-dione
CID 87118
1-Cyclododecyl-1h-pyrrole-2,5-dione
CID 282944
1,1'-(Dodecane-1,12-diyl)bis-1H-pyrrole-2,5-dione
CID 119659
1-Tetradecyl-pyrrole-2,5-dione
CID 5224381
1-(10-Fluorotricosyl)pyrrole-2,5-dione
CID 175352052
1H-Pyrrole-2,5-dione, 1,1'-(1,7-heptanediyl)bis-
CID 573531
1H-Pyrrole-2,5-dione, 1,1'-(1,8-octanediyl)bis-
CID 573537
1-(16-(Piperidin-1-yl)hexadecyl)-1h-pyrrole-2,5-dione hydrochloride
CID 129891611
1-(18-(Piperidin-1-yl)octadecyl)-1h-pyrrole-2,5-dione hydrochloride
CID 129891619

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylpyrrole-2,5-dione;1-dodecylpyrrole-2,5-dione?
The IUPAC name of 1-cyclohexylpyrrole-2,5-dione;1-dodecylpyrrole-2,5-dione (CID 67420913) is 1-cyclohexylpyrrole-2,5-dione;1-dodecylpyrrole-2,5-dione.
What is the SMILES notation for 1-cyclohexylpyrrole-2,5-dione;1-dodecylpyrrole-2,5-dione?
The canonical SMILES for 1-cyclohexylpyrrole-2,5-dione;1-dodecylpyrrole-2,5-dione is CCCCCCCCCCCCN1C(=O)C=CC1=O.O=C1C=CC(=O)N1C1CCCCC1.
What is the InChIKey of 1-cyclohexylpyrrole-2,5-dione;1-dodecylpyrrole-2,5-dione?
The InChIKey is UYRHYISWLGFMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2.C10H13NO2/c1-2-3-4-5-6-7-8-9-10-11-14-17-15(18)12-13-16(17)19;12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h12-13H,2-11,14H2,1H3;6-8H,1-5H2.
What are the key properties of 1-cyclohexylpyrrole-2,5-dione;1-dodecylpyrrole-2,5-dione?
1-cyclohexylpyrrole-2,5-dione;1-dodecylpyrrole-2,5-dione has a molecular weight of 444.62 g/mol, XLogP of 5.08, 12 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;1-dodecylpyrrole-2,5-dione is sourced from PubChem (CID 67420913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).