4-butyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C11H20N2O2 — CID 59657483

IUPAC4-butyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCCCC1NC(=O)OC12CCNCC2
InChIInChI=1S/C11H20N2O2/c1-2-3-4-9-11(15-10(14)13-9)5-7-12-8-6-11/h9,12H,2-8H2,1H3,(H,13,14)
InChIKeyLNGFCPNKTHGNQZ-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.41
Rot. Bonds3

About 4-butyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

4-butyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 59657483) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 4-butyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name4-butyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID59657483
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name4-butyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCCCC1NC(=O)OC12CCNCC2
InChIInChI=1S/C11H20N2O2/c1-2-3-4-9-11(15-10(14)13-9)5-7-12-8-6-11/h9,12H,2-8H2,1H3,(H,13,14)
InChIKeyLNGFCPNKTHGNQZ-UHFFFAOYSA-N
XLogP1.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 4-butyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 59657483) is 4-butyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 4-butyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 4-butyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCCCC1NC(=O)OC12CCNCC2.
What is the InChIKey of 4-butyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is LNGFCPNKTHGNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-2-3-4-9-11(15-10(14)13-9)5-7-12-8-6-11/h9,12H,2-8H2,1H3,(H,13,14).
What are the key properties of 4-butyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
4-butyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 212.29 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 59657483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).