1-dodecyl-3-methylidenepyrrolidine-2,5-dione

C17H29NO2 — CID 22245525

IUPAC1-dodecyl-3-methylidenepyrrolidine-2,5-dione
SMILESC=C1CC(=O)N(CCCCCCCCCCCC)C1=O
InChIInChI=1S/C17H29NO2/c1-3-4-5-6-7-8-9-10-11-12-13-18-16(19)14-15(2)17(18)20/h2-14H2,1H3
InChIKeyGXDLZONOWLZMTG-UHFFFAOYSA-N
MW279.42 g/mol
LogP4.22
Rot. Bonds11

About 1-dodecyl-3-methylidenepyrrolidine-2,5-dione

1-dodecyl-3-methylidenepyrrolidine-2,5-dione (PubChem CID 22245525) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-dodecyl-3-methylidenepyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-dodecyl-3-methylidenepyrrolidine-2,5-dione
PubChem CID22245525
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-dodecyl-3-methylidenepyrrolidine-2,5-dione
SMILESC=C1CC(=O)N(CCCCCCCCCCCC)C1=O
InChIInChI=1S/C17H29NO2/c1-3-4-5-6-7-8-9-10-11-12-13-18-16(19)14-15(2)17(18)20/h2-14H2,1H3
InChIKeyGXDLZONOWLZMTG-UHFFFAOYSA-N
XLogP4.22
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-dodecyl-3-methylidenepyrrolidine-2,5-dione?
The IUPAC name of 1-dodecyl-3-methylidenepyrrolidine-2,5-dione (CID 22245525) is 1-dodecyl-3-methylidenepyrrolidine-2,5-dione.
What is the SMILES notation for 1-dodecyl-3-methylidenepyrrolidine-2,5-dione?
The canonical SMILES for 1-dodecyl-3-methylidenepyrrolidine-2,5-dione is C=C1CC(=O)N(CCCCCCCCCCCC)C1=O.
What is the InChIKey of 1-dodecyl-3-methylidenepyrrolidine-2,5-dione?
The InChIKey is GXDLZONOWLZMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-3-4-5-6-7-8-9-10-11-12-13-18-16(19)14-15(2)17(18)20/h2-14H2,1H3.
What are the key properties of 1-dodecyl-3-methylidenepyrrolidine-2,5-dione?
1-dodecyl-3-methylidenepyrrolidine-2,5-dione has a molecular weight of 279.42 g/mol, XLogP of 4.22, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-3-methylidenepyrrolidine-2,5-dione is sourced from PubChem (CID 22245525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).