(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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Related Compounds

N-methyl-2-[2-(oxolane-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]acetamide
CID 131697076
2-cyclopropyl-1-(7-ethyl-2,7-diazaspiro[3.4]octan-2-yl)ethanone
CID 97392926
(3,3-dimethylpyrrolidin-1-yl)-[(3S)-oxolan-3-yl]methanone;ethane
CID 144942244
[(3R)-oxolan-3-yl]-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97449429
1-(4-ethylpiperazin-1-yl)-3-[1-(oxolane-3-carbonyl)piperidin-4-yl]propan-1-one
CID 45182196
[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(oxan-4-yl)methanone
CID 97445987
2-(cyclopropylmethyl)-8-(oxolane-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 155872829
[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-[(3S)-oxolan-3-yl]methanone
CID 95342573
[4-(2-hydroxyethyl)piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 94191646
[4-(1-hydroxyethyl)piperidin-1-yl]-(oxolan-3-yl)methanone
CID 112537686
2-(3-azaspiro[5.5]undecan-3-yl)-1-(oxolan-3-yl)ethanone
CID 104750677
oxolan-3-yl-[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 134077446

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).