1-(dodecylamino)pyrrole-2,5-dione

C16H28N2O2 — CID 174692650

IUPAC1-(dodecylamino)pyrrole-2,5-dione
SMILESCCCCCCCCCCCCNN1C(=O)C=CC1=O
InChIInChI=1S/C16H28N2O2/c1-2-3-4-5-6-7-8-9-10-11-14-17-18-15(19)12-13-16(18)20/h12-13,17H,2-11,14H2,1H3
InChIKeyXSLDHQUCKLUIOT-UHFFFAOYSA-N
MW280.41 g/mol
LogP3.34
Rot. Bonds12

About 1-(dodecylamino)pyrrole-2,5-dione

1-(dodecylamino)pyrrole-2,5-dione (PubChem CID 174692650) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-(dodecylamino)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(dodecylamino)pyrrole-2,5-dione
PubChem CID174692650
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-(dodecylamino)pyrrole-2,5-dione
SMILESCCCCCCCCCCCCNN1C(=O)C=CC1=O
InChIInChI=1S/C16H28N2O2/c1-2-3-4-5-6-7-8-9-10-11-14-17-18-15(19)12-13-16(18)20/h12-13,17H,2-11,14H2,1H3
InChIKeyXSLDHQUCKLUIOT-UHFFFAOYSA-N
XLogP3.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(dodecylamino)pyrrole-2,5-dione?
The IUPAC name of 1-(dodecylamino)pyrrole-2,5-dione (CID 174692650) is 1-(dodecylamino)pyrrole-2,5-dione.
What is the SMILES notation for 1-(dodecylamino)pyrrole-2,5-dione?
The canonical SMILES for 1-(dodecylamino)pyrrole-2,5-dione is CCCCCCCCCCCCNN1C(=O)C=CC1=O.
What is the InChIKey of 1-(dodecylamino)pyrrole-2,5-dione?
The InChIKey is XSLDHQUCKLUIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-2-3-4-5-6-7-8-9-10-11-14-17-18-15(19)12-13-16(18)20/h12-13,17H,2-11,14H2,1H3.
What are the key properties of 1-(dodecylamino)pyrrole-2,5-dione?
1-(dodecylamino)pyrrole-2,5-dione has a molecular weight of 280.41 g/mol, XLogP of 3.34, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dodecylamino)pyrrole-2,5-dione is sourced from PubChem (CID 174692650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).