1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-methoxypropan-1-one

C13H24N2O2 — CID 82038245

IUPAC1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCCC2(CCCNC2)C1
InChIInChI=1S/C13H24N2O2/c1-17-9-4-12(16)15-8-3-6-13(11-15)5-2-7-14-10-13/h14H,2-11H2,1H3
InChIKeyVABXKWIKIVSMQO-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.02
Rot. Bonds3

About 1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-methoxypropan-1-one

1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-methoxypropan-1-one (PubChem CID 82038245) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-methoxypropan-1-one
PubChem CID82038245
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCCC2(CCCNC2)C1
InChIInChI=1S/C13H24N2O2/c1-17-9-4-12(16)15-8-3-6-13(11-15)5-2-7-14-10-13/h14H,2-11H2,1H3
InChIKeyVABXKWIKIVSMQO-UHFFFAOYSA-N
XLogP1.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-methoxypropan-1-one?
The IUPAC name of 1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-methoxypropan-1-one (CID 82038245) is 1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-methoxypropan-1-one.
What is the SMILES notation for 1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-methoxypropan-1-one?
The canonical SMILES for 1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-methoxypropan-1-one is COCCC(=O)N1CCCC2(CCCNC2)C1.
What is the InChIKey of 1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-methoxypropan-1-one?
The InChIKey is VABXKWIKIVSMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-17-9-4-12(16)15-8-3-6-13(11-15)5-2-7-14-10-13/h14H,2-11H2,1H3.
What are the key properties of 1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-methoxypropan-1-one?
1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-methoxypropan-1-one has a molecular weight of 240.35 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-methoxypropan-1-one is sourced from PubChem (CID 82038245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).