1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(2S)-oxolan-2-yl]methanone

C12H19NO4 — CID 7126552

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(2S)-oxolan-2-yl]methanone
SMILESO=C([C@@H]1CCCO1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C12H19NO4/c14-11(10-2-1-7-15-10)13-5-3-12(4-6-13)16-8-9-17-12/h10H,1-9H2/t10-/m0/s1
InChIKeySZWJQAWXASEWPY-JTQLQIEISA-N
MW241.29 g/mol
LogP0.53
Rot. Bonds1

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(2S)-oxolan-2-yl]methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(2S)-oxolan-2-yl]methanone (PubChem CID 7126552) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(2S)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(2S)-oxolan-2-yl]methanone
PubChem CID7126552
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(2S)-oxolan-2-yl]methanone
SMILESO=C([C@@H]1CCCO1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C12H19NO4/c14-11(10-2-1-7-15-10)13-5-3-12(4-6-13)16-8-9-17-12/h10H,1-9H2/t10-/m0/s1
InChIKeySZWJQAWXASEWPY-JTQLQIEISA-N
XLogP0.53
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(2S)-oxolan-2-yl]methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(2S)-oxolan-2-yl]methanone (CID 7126552) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(2S)-oxolan-2-yl]methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(2S)-oxolan-2-yl]methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(2S)-oxolan-2-yl]methanone is O=C([C@@H]1CCCO1)N1CCC2(CC1)OCCO2.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(2S)-oxolan-2-yl]methanone?
The InChIKey is SZWJQAWXASEWPY-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19NO4/c14-11(10-2-1-7-15-10)13-5-3-12(4-6-13)16-8-9-17-12/h10H,1-9H2/t10-/m0/s1.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(2S)-oxolan-2-yl]methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(2S)-oxolan-2-yl]methanone has a molecular weight of 241.29 g/mol, XLogP of 0.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(2S)-oxolan-2-yl]methanone is sourced from PubChem (CID 7126552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).