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

C14H18N2O2 — CID 145015179

IUPAC8-(4-methylphenyl)-3-oxa-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1ccc(N2CCC3(CC2)COC(=O)N3)cc1
InChIInChI=1S/C14H18N2O2/c1-11-2-4-12(5-3-11)16-8-6-14(7-9-16)10-18-13(17)15-14/h2-5H,6-10H2,1H3,(H,15,17)
InChIKeyMVMBFLVCWCXPPL-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.07
Rot. Bonds1

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

8-(4-methylphenyl)-3-oxa-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 145015179) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 8-(4-methylphenyl)-3-oxa-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(4-methylphenyl)-3-oxa-1,8-diazaspiro[4.5]decan-2-one
PubChem CID145015179
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name8-(4-methylphenyl)-3-oxa-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1ccc(N2CCC3(CC2)COC(=O)N3)cc1
InChIInChI=1S/C14H18N2O2/c1-11-2-4-12(5-3-11)16-8-6-14(7-9-16)10-18-13(17)15-14/h2-5H,6-10H2,1H3,(H,15,17)
InChIKeyMVMBFLVCWCXPPL-UHFFFAOYSA-N
XLogP2.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methylphenyl)-3-oxa-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(4-methylphenyl)-3-oxa-1,8-diazaspiro[4.5]decan-2-one (CID 145015179) is 8-(4-methylphenyl)-3-oxa-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(4-methylphenyl)-3-oxa-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(4-methylphenyl)-3-oxa-1,8-diazaspiro[4.5]decan-2-one is Cc1ccc(N2CCC3(CC2)COC(=O)N3)cc1.
What is the InChIKey of 8-(4-methylphenyl)-3-oxa-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is MVMBFLVCWCXPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-11-2-4-12(5-3-11)16-8-6-14(7-9-16)10-18-13(17)15-14/h2-5H,6-10H2,1H3,(H,15,17).
What are the key properties of 8-(4-methylphenyl)-3-oxa-1,8-diazaspiro[4.5]decan-2-one?
8-(4-methylphenyl)-3-oxa-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 246.31 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methylphenyl)-3-oxa-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 145015179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).