5-(2-methylpropyl)-6-azaspiro[3.4]octan-7-one

C11H19NO — CID 81251872

IUPAC5-(2-methylpropyl)-6-azaspiro[3.4]octan-7-one
SMILESCC(C)CC1NC(=O)CC12CCC2
InChIInChI=1S/C11H19NO/c1-8(2)6-9-11(4-3-5-11)7-10(13)12-9/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyYWZZFMZNAKCFIR-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.09
Rot. Bonds2

About 5-(2-methylpropyl)-6-azaspiro[3.4]octan-7-one

5-(2-methylpropyl)-6-azaspiro[3.4]octan-7-one (PubChem CID 81251872) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 5-(2-methylpropyl)-6-azaspiro[3.4]octan-7-one.

Molecular Properties

Compound Name5-(2-methylpropyl)-6-azaspiro[3.4]octan-7-one
PubChem CID81251872
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name5-(2-methylpropyl)-6-azaspiro[3.4]octan-7-one
SMILESCC(C)CC1NC(=O)CC12CCC2
InChIInChI=1S/C11H19NO/c1-8(2)6-9-11(4-3-5-11)7-10(13)12-9/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyYWZZFMZNAKCFIR-UHFFFAOYSA-N
XLogP2.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-6-azaspiro[3.4]octan-7-one?
The IUPAC name of 5-(2-methylpropyl)-6-azaspiro[3.4]octan-7-one (CID 81251872) is 5-(2-methylpropyl)-6-azaspiro[3.4]octan-7-one.
What is the SMILES notation for 5-(2-methylpropyl)-6-azaspiro[3.4]octan-7-one?
The canonical SMILES for 5-(2-methylpropyl)-6-azaspiro[3.4]octan-7-one is CC(C)CC1NC(=O)CC12CCC2.
What is the InChIKey of 5-(2-methylpropyl)-6-azaspiro[3.4]octan-7-one?
The InChIKey is YWZZFMZNAKCFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-8(2)6-9-11(4-3-5-11)7-10(13)12-9/h8-9H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 5-(2-methylpropyl)-6-azaspiro[3.4]octan-7-one?
5-(2-methylpropyl)-6-azaspiro[3.4]octan-7-one has a molecular weight of 181.28 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-6-azaspiro[3.4]octan-7-one is sourced from PubChem (CID 81251872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).