6-[(3-methylphenyl)methyl]-9-oxa-2,6-diazaspiro[4.5]decan-7-one

C15H20N2O2 — CID 115066993

IUPAC6-[(3-methylphenyl)methyl]-9-oxa-2,6-diazaspiro[4.5]decan-7-one
SMILESCc1cccc(CN2C(=O)COCC23CCNC3)c1
InChIInChI=1S/C15H20N2O2/c1-12-3-2-4-13(7-12)8-17-14(18)9-19-11-15(17)5-6-16-10-15/h2-4,7,16H,5-6,8-11H2,1H3
InChIKeyDYJDRXSEOUSVHJ-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.09
Rot. Bonds2

About 6-[(3-methylphenyl)methyl]-9-oxa-2,6-diazaspiro[4.5]decan-7-one

6-[(3-methylphenyl)methyl]-9-oxa-2,6-diazaspiro[4.5]decan-7-one (PubChem CID 115066993) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 6-[(3-methylphenyl)methyl]-9-oxa-2,6-diazaspiro[4.5]decan-7-one.

Molecular Properties

Compound Name6-[(3-methylphenyl)methyl]-9-oxa-2,6-diazaspiro[4.5]decan-7-one
PubChem CID115066993
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name6-[(3-methylphenyl)methyl]-9-oxa-2,6-diazaspiro[4.5]decan-7-one
SMILESCc1cccc(CN2C(=O)COCC23CCNC3)c1
InChIInChI=1S/C15H20N2O2/c1-12-3-2-4-13(7-12)8-17-14(18)9-19-11-15(17)5-6-16-10-15/h2-4,7,16H,5-6,8-11H2,1H3
InChIKeyDYJDRXSEOUSVHJ-UHFFFAOYSA-N
XLogP1.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-methylphenyl)methyl]-9-oxa-2,6-diazaspiro[4.5]decan-7-one?
The IUPAC name of 6-[(3-methylphenyl)methyl]-9-oxa-2,6-diazaspiro[4.5]decan-7-one (CID 115066993) is 6-[(3-methylphenyl)methyl]-9-oxa-2,6-diazaspiro[4.5]decan-7-one.
What is the SMILES notation for 6-[(3-methylphenyl)methyl]-9-oxa-2,6-diazaspiro[4.5]decan-7-one?
The canonical SMILES for 6-[(3-methylphenyl)methyl]-9-oxa-2,6-diazaspiro[4.5]decan-7-one is Cc1cccc(CN2C(=O)COCC23CCNC3)c1.
What is the InChIKey of 6-[(3-methylphenyl)methyl]-9-oxa-2,6-diazaspiro[4.5]decan-7-one?
The InChIKey is DYJDRXSEOUSVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-12-3-2-4-13(7-12)8-17-14(18)9-19-11-15(17)5-6-16-10-15/h2-4,7,16H,5-6,8-11H2,1H3.
What are the key properties of 6-[(3-methylphenyl)methyl]-9-oxa-2,6-diazaspiro[4.5]decan-7-one?
6-[(3-methylphenyl)methyl]-9-oxa-2,6-diazaspiro[4.5]decan-7-one has a molecular weight of 260.34 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methylphenyl)methyl]-9-oxa-2,6-diazaspiro[4.5]decan-7-one is sourced from PubChem (CID 115066993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).