2-(2,8-diazaspiro[4.5]decane-2-carbonyl)-6-methylpyran-4-one

C15H20N2O3 — CID 91788854

IUPAC2-(2,8-diazaspiro[4.5]decane-2-carbonyl)-6-methylpyran-4-one
SMILESCc1cc(=O)cc(C(=O)N2CCC3(CCNCC3)C2)o1
InChIInChI=1S/C15H20N2O3/c1-11-8-12(18)9-13(20-11)14(19)17-7-4-15(10-17)2-5-16-6-3-15/h8-9,16H,2-7,10H2,1H3
InChIKeyGNMOVCSINAJBHL-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.16
Rot. Bonds1

About 2-(2,8-diazaspiro[4.5]decane-2-carbonyl)-6-methylpyran-4-one

2-(2,8-diazaspiro[4.5]decane-2-carbonyl)-6-methylpyran-4-one (PubChem CID 91788854) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(2,8-diazaspiro[4.5]decane-2-carbonyl)-6-methylpyran-4-one.

Molecular Properties

Compound Name2-(2,8-diazaspiro[4.5]decane-2-carbonyl)-6-methylpyran-4-one
PubChem CID91788854
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-(2,8-diazaspiro[4.5]decane-2-carbonyl)-6-methylpyran-4-one
SMILESCc1cc(=O)cc(C(=O)N2CCC3(CCNCC3)C2)o1
InChIInChI=1S/C15H20N2O3/c1-11-8-12(18)9-13(20-11)14(19)17-7-4-15(10-17)2-5-16-6-3-15/h8-9,16H,2-7,10H2,1H3
InChIKeyGNMOVCSINAJBHL-UHFFFAOYSA-N
XLogP1.16
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,8-diazaspiro[4.5]decane-2-carbonyl)-6-methylpyran-4-one?
The IUPAC name of 2-(2,8-diazaspiro[4.5]decane-2-carbonyl)-6-methylpyran-4-one (CID 91788854) is 2-(2,8-diazaspiro[4.5]decane-2-carbonyl)-6-methylpyran-4-one.
What is the SMILES notation for 2-(2,8-diazaspiro[4.5]decane-2-carbonyl)-6-methylpyran-4-one?
The canonical SMILES for 2-(2,8-diazaspiro[4.5]decane-2-carbonyl)-6-methylpyran-4-one is Cc1cc(=O)cc(C(=O)N2CCC3(CCNCC3)C2)o1.
What is the InChIKey of 2-(2,8-diazaspiro[4.5]decane-2-carbonyl)-6-methylpyran-4-one?
The InChIKey is GNMOVCSINAJBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11-8-12(18)9-13(20-11)14(19)17-7-4-15(10-17)2-5-16-6-3-15/h8-9,16H,2-7,10H2,1H3.
What are the key properties of 2-(2,8-diazaspiro[4.5]decane-2-carbonyl)-6-methylpyran-4-one?
2-(2,8-diazaspiro[4.5]decane-2-carbonyl)-6-methylpyran-4-one has a molecular weight of 276.34 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,8-diazaspiro[4.5]decane-2-carbonyl)-6-methylpyran-4-one is sourced from PubChem (CID 91788854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).