(2S)-2-propan-2-yl-1,4-diazaspiro[5.6]dodecan-3-one

C13H24N2O — CID 96604555

IUPAC(2S)-2-propan-2-yl-1,4-diazaspiro[5.6]dodecan-3-one
SMILESCC(C)[C@@H]1NC2(CCCCCC2)CNC1=O
InChIInChI=1S/C13H24N2O/c1-10(2)11-12(16)14-9-13(15-11)7-5-3-4-6-8-13/h10-11,15H,3-9H2,1-2H3,(H,14,16)/t11-/m0/s1
InChIKeyOLQBNDARYHEWIX-NSHDSACASA-N
MW224.35 g/mol
LogP1.82
Rot. Bonds1

About (2S)-2-propan-2-yl-1,4-diazaspiro[5.6]dodecan-3-one

(2S)-2-propan-2-yl-1,4-diazaspiro[5.6]dodecan-3-one (PubChem CID 96604555) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is (2S)-2-propan-2-yl-1,4-diazaspiro[5.6]dodecan-3-one.

Molecular Properties

Compound Name(2S)-2-propan-2-yl-1,4-diazaspiro[5.6]dodecan-3-one
PubChem CID96604555
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name(2S)-2-propan-2-yl-1,4-diazaspiro[5.6]dodecan-3-one
SMILESCC(C)[C@@H]1NC2(CCCCCC2)CNC1=O
InChIInChI=1S/C13H24N2O/c1-10(2)11-12(16)14-9-13(15-11)7-5-3-4-6-8-13/h10-11,15H,3-9H2,1-2H3,(H,14,16)/t11-/m0/s1
InChIKeyOLQBNDARYHEWIX-NSHDSACASA-N
XLogP1.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-propan-2-yl-1,4-diazaspiro[5.6]dodecan-3-one?
The IUPAC name of (2S)-2-propan-2-yl-1,4-diazaspiro[5.6]dodecan-3-one (CID 96604555) is (2S)-2-propan-2-yl-1,4-diazaspiro[5.6]dodecan-3-one.
What is the SMILES notation for (2S)-2-propan-2-yl-1,4-diazaspiro[5.6]dodecan-3-one?
The canonical SMILES for (2S)-2-propan-2-yl-1,4-diazaspiro[5.6]dodecan-3-one is CC(C)[C@@H]1NC2(CCCCCC2)CNC1=O.
What is the InChIKey of (2S)-2-propan-2-yl-1,4-diazaspiro[5.6]dodecan-3-one?
The InChIKey is OLQBNDARYHEWIX-NSHDSACASA-N. The full InChI is InChI=1S/C13H24N2O/c1-10(2)11-12(16)14-9-13(15-11)7-5-3-4-6-8-13/h10-11,15H,3-9H2,1-2H3,(H,14,16)/t11-/m0/s1.
What are the key properties of (2S)-2-propan-2-yl-1,4-diazaspiro[5.6]dodecan-3-one?
(2S)-2-propan-2-yl-1,4-diazaspiro[5.6]dodecan-3-one has a molecular weight of 224.35 g/mol, XLogP of 1.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-propan-2-yl-1,4-diazaspiro[5.6]dodecan-3-one is sourced from PubChem (CID 96604555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).