4-(cyclobutanecarbonyl)-1-ethyl-9-oxa-1,4-diazaspiro[5.5]undecan-2-one

C15H24N2O3 — CID 110198012

IUPAC4-(cyclobutanecarbonyl)-1-ethyl-9-oxa-1,4-diazaspiro[5.5]undecan-2-one
SMILESCCN1C(=O)CN(C(=O)C2CCC2)CC12CCOCC2
InChIInChI=1S/C15H24N2O3/c1-2-17-13(18)10-16(14(19)12-4-3-5-12)11-15(17)6-8-20-9-7-15/h12H,2-11H2,1H3
InChIKeyQKXXPDIUKQAIDV-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.03
Rot. Bonds2

About 4-(cyclobutanecarbonyl)-1-ethyl-9-oxa-1,4-diazaspiro[5.5]undecan-2-one

4-(cyclobutanecarbonyl)-1-ethyl-9-oxa-1,4-diazaspiro[5.5]undecan-2-one (PubChem CID 110198012) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-(cyclobutanecarbonyl)-1-ethyl-9-oxa-1,4-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name4-(cyclobutanecarbonyl)-1-ethyl-9-oxa-1,4-diazaspiro[5.5]undecan-2-one
PubChem CID110198012
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name4-(cyclobutanecarbonyl)-1-ethyl-9-oxa-1,4-diazaspiro[5.5]undecan-2-one
SMILESCCN1C(=O)CN(C(=O)C2CCC2)CC12CCOCC2
InChIInChI=1S/C15H24N2O3/c1-2-17-13(18)10-16(14(19)12-4-3-5-12)11-15(17)6-8-20-9-7-15/h12H,2-11H2,1H3
InChIKeyQKXXPDIUKQAIDV-UHFFFAOYSA-N
XLogP1.03
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutanecarbonyl)-1-ethyl-9-oxa-1,4-diazaspiro[5.5]undecan-2-one?
The IUPAC name of 4-(cyclobutanecarbonyl)-1-ethyl-9-oxa-1,4-diazaspiro[5.5]undecan-2-one (CID 110198012) is 4-(cyclobutanecarbonyl)-1-ethyl-9-oxa-1,4-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for 4-(cyclobutanecarbonyl)-1-ethyl-9-oxa-1,4-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for 4-(cyclobutanecarbonyl)-1-ethyl-9-oxa-1,4-diazaspiro[5.5]undecan-2-one is CCN1C(=O)CN(C(=O)C2CCC2)CC12CCOCC2.
What is the InChIKey of 4-(cyclobutanecarbonyl)-1-ethyl-9-oxa-1,4-diazaspiro[5.5]undecan-2-one?
The InChIKey is QKXXPDIUKQAIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-2-17-13(18)10-16(14(19)12-4-3-5-12)11-15(17)6-8-20-9-7-15/h12H,2-11H2,1H3.
What are the key properties of 4-(cyclobutanecarbonyl)-1-ethyl-9-oxa-1,4-diazaspiro[5.5]undecan-2-one?
4-(cyclobutanecarbonyl)-1-ethyl-9-oxa-1,4-diazaspiro[5.5]undecan-2-one has a molecular weight of 280.37 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutanecarbonyl)-1-ethyl-9-oxa-1,4-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 110198012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).