(7-ethyl-2,7-diazaspiro[3.4]octan-2-yl)-(oxolan-3-yl)methanone

C13H22N2O2 — CID 134076233

IUPAC(7-ethyl-2,7-diazaspiro[3.4]octan-2-yl)-(oxolan-3-yl)methanone
SMILESCCN1CCC2(C1)CN(C(=O)C1CCOC1)C2
InChIInChI=1S/C13H22N2O2/c1-2-14-5-4-13(8-14)9-15(10-13)12(16)11-3-6-17-7-11/h11H,2-10H2,1H3
InChIKeyXXPFDJYDHITLPT-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.58
Rot. Bonds2

About (7-ethyl-2,7-diazaspiro[3.4]octan-2-yl)-(oxolan-3-yl)methanone

(7-ethyl-2,7-diazaspiro[3.4]octan-2-yl)-(oxolan-3-yl)methanone (PubChem CID 134076233) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is (7-ethyl-2,7-diazaspiro[3.4]octan-2-yl)-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name(7-ethyl-2,7-diazaspiro[3.4]octan-2-yl)-(oxolan-3-yl)methanone
PubChem CID134076233
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name(7-ethyl-2,7-diazaspiro[3.4]octan-2-yl)-(oxolan-3-yl)methanone
SMILESCCN1CCC2(C1)CN(C(=O)C1CCOC1)C2
InChIInChI=1S/C13H22N2O2/c1-2-14-5-4-13(8-14)9-15(10-13)12(16)11-3-6-17-7-11/h11H,2-10H2,1H3
InChIKeyXXPFDJYDHITLPT-UHFFFAOYSA-N
XLogP0.58
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7-ethyl-2,7-diazaspiro[3.4]octan-2-yl)-(oxolan-3-yl)methanone?
The IUPAC name of (7-ethyl-2,7-diazaspiro[3.4]octan-2-yl)-(oxolan-3-yl)methanone (CID 134076233) is (7-ethyl-2,7-diazaspiro[3.4]octan-2-yl)-(oxolan-3-yl)methanone.
What is the SMILES notation for (7-ethyl-2,7-diazaspiro[3.4]octan-2-yl)-(oxolan-3-yl)methanone?
The canonical SMILES for (7-ethyl-2,7-diazaspiro[3.4]octan-2-yl)-(oxolan-3-yl)methanone is CCN1CCC2(C1)CN(C(=O)C1CCOC1)C2.
What is the InChIKey of (7-ethyl-2,7-diazaspiro[3.4]octan-2-yl)-(oxolan-3-yl)methanone?
The InChIKey is XXPFDJYDHITLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-2-14-5-4-13(8-14)9-15(10-13)12(16)11-3-6-17-7-11/h11H,2-10H2,1H3.
What are the key properties of (7-ethyl-2,7-diazaspiro[3.4]octan-2-yl)-(oxolan-3-yl)methanone?
(7-ethyl-2,7-diazaspiro[3.4]octan-2-yl)-(oxolan-3-yl)methanone has a molecular weight of 238.33 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-ethyl-2,7-diazaspiro[3.4]octan-2-yl)-(oxolan-3-yl)methanone is sourced from PubChem (CID 134076233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).