1-[3-(oxolan-2-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione

C16H26N2O3 — CID 65165016

IUPAC1-[3-(oxolan-2-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESO=C1NC(=O)C2(CCCCCC2)N1CCCC1CCCO1
InChIInChI=1S/C16H26N2O3/c19-14-16(9-3-1-2-4-10-16)18(15(20)17-14)11-5-7-13-8-6-12-21-13/h13H,1-12H2,(H,17,19,20)
InChIKeyLLJGSTTVDDYGSR-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.59
Rot. Bonds4

About 1-[3-(oxolan-2-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione

1-[3-(oxolan-2-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione (PubChem CID 65165016) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-[3-(oxolan-2-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione.

Molecular Properties

Compound Name1-[3-(oxolan-2-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
PubChem CID65165016
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name1-[3-(oxolan-2-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESO=C1NC(=O)C2(CCCCCC2)N1CCCC1CCCO1
InChIInChI=1S/C16H26N2O3/c19-14-16(9-3-1-2-4-10-16)18(15(20)17-14)11-5-7-13-8-6-12-21-13/h13H,1-12H2,(H,17,19,20)
InChIKeyLLJGSTTVDDYGSR-UHFFFAOYSA-N
XLogP2.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(oxolan-2-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The IUPAC name of 1-[3-(oxolan-2-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione (CID 65165016) is 1-[3-(oxolan-2-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione.
What is the SMILES notation for 1-[3-(oxolan-2-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The canonical SMILES for 1-[3-(oxolan-2-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione is O=C1NC(=O)C2(CCCCCC2)N1CCCC1CCCO1.
What is the InChIKey of 1-[3-(oxolan-2-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The InChIKey is LLJGSTTVDDYGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c19-14-16(9-3-1-2-4-10-16)18(15(20)17-14)11-5-7-13-8-6-12-21-13/h13H,1-12H2,(H,17,19,20).
What are the key properties of 1-[3-(oxolan-2-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
1-[3-(oxolan-2-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione has a molecular weight of 294.40 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(oxolan-2-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione is sourced from PubChem (CID 65165016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).