5,5-dipropyl-(411C)1,3-diazolidine-2,4-dione

C9H16N2O2 — CID 90678711

IUPAC5,5-dipropyl-(411C)1,3-diazolidine-2,4-dione
SMILESCCCC1(CCC)NC(=O)N[11C]1=O
InChIInChI=1S/C9H16N2O2/c1-3-5-9(6-4-2)7(12)10-8(13)11-9/h3-6H2,1-2H3,(H2,10,11,12,13)/i7-1
InChIKeyTVKULRRHIFBSPZ-JZRMKITLSA-N
MW183.24 g/mol
LogP1.16
Rot. Bonds4

About 5,5-dipropyl-(411C)1,3-diazolidine-2,4-dione

5,5-dipropyl-(411C)1,3-diazolidine-2,4-dione (PubChem CID 90678711) has the molecular formula C9H16N2O2 and a molecular weight of 183.24 g/mol. Its IUPAC name is 5,5-dipropyl-(411C)1,3-diazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dipropyl-(411C)1,3-diazolidine-2,4-dione
PubChem CID90678711
Molecular FormulaC9H16N2O2
Molecular Weight183.24 g/mol
Exact Mass183.13
IUPAC Name5,5-dipropyl-(411C)1,3-diazolidine-2,4-dione
SMILESCCCC1(CCC)NC(=O)N[11C]1=O
InChIInChI=1S/C9H16N2O2/c1-3-5-9(6-4-2)7(12)10-8(13)11-9/h3-6H2,1-2H3,(H2,10,11,12,13)/i7-1
InChIKeyTVKULRRHIFBSPZ-JZRMKITLSA-N
XLogP1.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.24
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dipropyl-(411C)1,3-diazolidine-2,4-dione?
The IUPAC name of 5,5-dipropyl-(411C)1,3-diazolidine-2,4-dione (CID 90678711) is 5,5-dipropyl-(411C)1,3-diazolidine-2,4-dione.
What is the SMILES notation for 5,5-dipropyl-(411C)1,3-diazolidine-2,4-dione?
The canonical SMILES for 5,5-dipropyl-(411C)1,3-diazolidine-2,4-dione is CCCC1(CCC)NC(=O)N[11C]1=O.
What is the InChIKey of 5,5-dipropyl-(411C)1,3-diazolidine-2,4-dione?
The InChIKey is TVKULRRHIFBSPZ-JZRMKITLSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-3-5-9(6-4-2)7(12)10-8(13)11-9/h3-6H2,1-2H3,(H2,10,11,12,13)/i7-1.
What are the key properties of 5,5-dipropyl-(411C)1,3-diazolidine-2,4-dione?
5,5-dipropyl-(411C)1,3-diazolidine-2,4-dione has a molecular weight of 183.24 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dipropyl-(411C)1,3-diazolidine-2,4-dione is sourced from PubChem (CID 90678711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).