8-(4-hydroxy-2-methylbenzoyl)-1,8-diazaspiro[4.5]decan-2-one

C16H20N2O3 — CID 77094670

IUPAC8-(4-hydroxy-2-methylbenzoyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1cc(O)ccc1C(=O)N1CCC2(CCC(=O)N2)CC1
InChIInChI=1S/C16H20N2O3/c1-11-10-12(19)2-3-13(11)15(21)18-8-6-16(7-9-18)5-4-14(20)17-16/h2-3,10,19H,4-9H2,1H3,(H,17,20)
InChIKeyJRPUSSIBSWXFRS-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.59
Rot. Bonds1

About 8-(4-hydroxy-2-methylbenzoyl)-1,8-diazaspiro[4.5]decan-2-one

8-(4-hydroxy-2-methylbenzoyl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 77094670) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 8-(4-hydroxy-2-methylbenzoyl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(4-hydroxy-2-methylbenzoyl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID77094670
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name8-(4-hydroxy-2-methylbenzoyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1cc(O)ccc1C(=O)N1CCC2(CCC(=O)N2)CC1
InChIInChI=1S/C16H20N2O3/c1-11-10-12(19)2-3-13(11)15(21)18-8-6-16(7-9-18)5-4-14(20)17-16/h2-3,10,19H,4-9H2,1H3,(H,17,20)
InChIKeyJRPUSSIBSWXFRS-UHFFFAOYSA-N
XLogP1.59
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(4-hydroxy-2-methylbenzoyl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(4-hydroxy-2-methylbenzoyl)-1,8-diazaspiro[4.5]decan-2-one (CID 77094670) is 8-(4-hydroxy-2-methylbenzoyl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(4-hydroxy-2-methylbenzoyl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(4-hydroxy-2-methylbenzoyl)-1,8-diazaspiro[4.5]decan-2-one is Cc1cc(O)ccc1C(=O)N1CCC2(CCC(=O)N2)CC1.
What is the InChIKey of 8-(4-hydroxy-2-methylbenzoyl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is JRPUSSIBSWXFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11-10-12(19)2-3-13(11)15(21)18-8-6-16(7-9-18)5-4-14(20)17-16/h2-3,10,19H,4-9H2,1H3,(H,17,20).
What are the key properties of 8-(4-hydroxy-2-methylbenzoyl)-1,8-diazaspiro[4.5]decan-2-one?
8-(4-hydroxy-2-methylbenzoyl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 288.35 g/mol, XLogP of 1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-hydroxy-2-methylbenzoyl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 77094670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).