1-[2-(oxolane-3-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]ethanone

C13H20N2O3 — CID 118738813

IUPAC1-[2-(oxolane-3-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]ethanone
SMILESCC(=O)N1CCC2(C1)CN(C(=O)C1CCOC1)C2
InChIInChI=1S/C13H20N2O3/c1-10(16)14-4-3-13(7-14)8-15(9-13)12(17)11-2-5-18-6-11/h11H,2-9H2,1H3
InChIKeyRQXJDOMHCUVTAC-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.10
Rot. Bonds1

About 1-[2-(oxolane-3-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]ethanone

1-[2-(oxolane-3-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]ethanone (PubChem CID 118738813) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-[2-(oxolane-3-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]ethanone.

Molecular Properties

Compound Name1-[2-(oxolane-3-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]ethanone
PubChem CID118738813
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name1-[2-(oxolane-3-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]ethanone
SMILESCC(=O)N1CCC2(C1)CN(C(=O)C1CCOC1)C2
InChIInChI=1S/C13H20N2O3/c1-10(16)14-4-3-13(7-14)8-15(9-13)12(17)11-2-5-18-6-11/h11H,2-9H2,1H3
InChIKeyRQXJDOMHCUVTAC-UHFFFAOYSA-N
XLogP0.10
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxolane-3-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]ethanone?
The IUPAC name of 1-[2-(oxolane-3-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]ethanone (CID 118738813) is 1-[2-(oxolane-3-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]ethanone.
What is the SMILES notation for 1-[2-(oxolane-3-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]ethanone?
The canonical SMILES for 1-[2-(oxolane-3-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]ethanone is CC(=O)N1CCC2(C1)CN(C(=O)C1CCOC1)C2.
What is the InChIKey of 1-[2-(oxolane-3-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]ethanone?
The InChIKey is RQXJDOMHCUVTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-10(16)14-4-3-13(7-14)8-15(9-13)12(17)11-2-5-18-6-11/h11H,2-9H2,1H3.
What are the key properties of 1-[2-(oxolane-3-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]ethanone?
1-[2-(oxolane-3-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]ethanone has a molecular weight of 252.31 g/mol, XLogP of 0.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxolane-3-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]ethanone is sourced from PubChem (CID 118738813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).