3-(3,4-dimethylphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C15H20N2O2 — CID 56773891

IUPAC3-(3,4-dimethylphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1ccc(N2CC3(CCNCC3)OC2=O)cc1C
InChIInChI=1S/C15H20N2O2/c1-11-3-4-13(9-12(11)2)17-10-15(19-14(17)18)5-7-16-8-6-15/h3-4,9,16H,5-8,10H2,1-2H3
InChIKeySTAAIWVSWVKDSQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.38
Rot. Bonds1

About 3-(3,4-dimethylphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-(3,4-dimethylphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 56773891) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID56773891
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-(3,4-dimethylphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1ccc(N2CC3(CCNCC3)OC2=O)cc1C
InChIInChI=1S/C15H20N2O2/c1-11-3-4-13(9-12(11)2)17-10-15(19-14(17)18)5-7-16-8-6-15/h3-4,9,16H,5-8,10H2,1-2H3
InChIKeySTAAIWVSWVKDSQ-UHFFFAOYSA-N
XLogP2.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-(3,4-dimethylphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 56773891) is 3-(3,4-dimethylphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-(3,4-dimethylphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is Cc1ccc(N2CC3(CCNCC3)OC2=O)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is STAAIWVSWVKDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11-3-4-13(9-12(11)2)17-10-15(19-14(17)18)5-7-16-8-6-15/h3-4,9,16H,5-8,10H2,1-2H3.
What are the key properties of 3-(3,4-dimethylphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-(3,4-dimethylphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 260.34 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 56773891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).