3-cyclododecylpyrrole-2,5-dione

C16H25NO2 — CID 67805768

IUPAC3-cyclododecylpyrrole-2,5-dione
SMILESO=C1C=C(C2CCCCCCCCCCC2)C(=O)N1
InChIInChI=1S/C16H25NO2/c18-15-12-14(16(19)17-15)13-10-8-6-4-2-1-3-5-7-9-11-13/h12-13H,1-11H2,(H,17,18,19)
InChIKeySHTCWQWJYMULKA-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.49
Rot. Bonds1

About 3-cyclododecylpyrrole-2,5-dione

3-cyclododecylpyrrole-2,5-dione (PubChem CID 67805768) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-cyclododecylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-cyclododecylpyrrole-2,5-dione
PubChem CID67805768
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-cyclododecylpyrrole-2,5-dione
SMILESO=C1C=C(C2CCCCCCCCCCC2)C(=O)N1
InChIInChI=1S/C16H25NO2/c18-15-12-14(16(19)17-15)13-10-8-6-4-2-1-3-5-7-9-11-13/h12-13H,1-11H2,(H,17,18,19)
InChIKeySHTCWQWJYMULKA-UHFFFAOYSA-N
XLogP3.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Octadecylpyrrole-2,5-dione
CID 19810759
Cyclohexylmaleimide
CID 19810763
Tetrahydroisoindole-1,3-dione
CID 21525404
Octylmaleimide
CID 21880496
Hexylmaleimide
CID 21880509
Hexamethylene-bis-maleimide
CID 22989081
N-tert-butyl-5-methyl-7-propan-2-ylbicyclo[2.2.2]octa-2,5-diene-2-carboxamide
CID 132562388
(4S)-N-tert-butyl-5-methyl-7-propan-2-ylbicyclo[2.2.2]octa-2,5-diene-2-carboxamide
CID 134938911
5-methyl-N-(2-methylbutan-2-yl)-7-propan-2-ylbicyclo[2.2.2]octa-2,5-diene-2-carboxamide
CID 146167014
N-[2-(5-butanoyl-6-fluoro-6,7-dihydro-1H-inden-2-yl)propanoyl]butanamide
CID 143989196
3-Methyl-4-(5,9,13-trimethyltetradecyl)-1H-pyrrole-2,5-dione
CID 558334
3-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]pyrrole-2,5-dione
CID 101899164

Frequently Asked Questions

What is the IUPAC name of 3-cyclododecylpyrrole-2,5-dione?
The IUPAC name of 3-cyclododecylpyrrole-2,5-dione (CID 67805768) is 3-cyclododecylpyrrole-2,5-dione.
What is the SMILES notation for 3-cyclododecylpyrrole-2,5-dione?
The canonical SMILES for 3-cyclododecylpyrrole-2,5-dione is O=C1C=C(C2CCCCCCCCCCC2)C(=O)N1.
What is the InChIKey of 3-cyclododecylpyrrole-2,5-dione?
The InChIKey is SHTCWQWJYMULKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c18-15-12-14(16(19)17-15)13-10-8-6-4-2-1-3-5-7-9-11-13/h12-13H,1-11H2,(H,17,18,19).
What are the key properties of 3-cyclododecylpyrrole-2,5-dione?
3-cyclododecylpyrrole-2,5-dione has a molecular weight of 263.38 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclododecylpyrrole-2,5-dione is sourced from PubChem (CID 67805768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).