1-cyclohexyl-3-(hex-5-ynylamino)pyrrolidine-2,5-dione

C16H24N2O2 — CID 106211201

IUPAC1-cyclohexyl-3-(hex-5-ynylamino)pyrrolidine-2,5-dione
SMILESC#CCCCCNC1CC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C16H24N2O2/c1-2-3-4-8-11-17-14-12-15(19)18(16(14)20)13-9-6-5-7-10-13/h1,13-14,17H,3-12H2
InChIKeyIMCKBLLSUSCSBJ-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.84
Rot. Bonds6

About 1-cyclohexyl-3-(hex-5-ynylamino)pyrrolidine-2,5-dione

1-cyclohexyl-3-(hex-5-ynylamino)pyrrolidine-2,5-dione (PubChem CID 106211201) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-cyclohexyl-3-(hex-5-ynylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cyclohexyl-3-(hex-5-ynylamino)pyrrolidine-2,5-dione
PubChem CID106211201
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-cyclohexyl-3-(hex-5-ynylamino)pyrrolidine-2,5-dione
SMILESC#CCCCCNC1CC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C16H24N2O2/c1-2-3-4-8-11-17-14-12-15(19)18(16(14)20)13-9-6-5-7-10-13/h1,13-14,17H,3-12H2
InChIKeyIMCKBLLSUSCSBJ-UHFFFAOYSA-N
XLogP1.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.84
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(hex-5-ynylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-cyclohexyl-3-(hex-5-ynylamino)pyrrolidine-2,5-dione (CID 106211201) is 1-cyclohexyl-3-(hex-5-ynylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-cyclohexyl-3-(hex-5-ynylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-cyclohexyl-3-(hex-5-ynylamino)pyrrolidine-2,5-dione is C#CCCCCNC1CC(=O)N(C2CCCCC2)C1=O.
What is the InChIKey of 1-cyclohexyl-3-(hex-5-ynylamino)pyrrolidine-2,5-dione?
The InChIKey is IMCKBLLSUSCSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-3-4-8-11-17-14-12-15(19)18(16(14)20)13-9-6-5-7-10-13/h1,13-14,17H,3-12H2.
What are the key properties of 1-cyclohexyl-3-(hex-5-ynylamino)pyrrolidine-2,5-dione?
1-cyclohexyl-3-(hex-5-ynylamino)pyrrolidine-2,5-dione has a molecular weight of 276.38 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(hex-5-ynylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 106211201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).