1-methyl-2-azaspiro[4.5]decan-3-one

C10H17NO — CID 66108261

IUPAC1-methyl-2-azaspiro[4.5]decan-3-one
SMILESCC1NC(=O)CC12CCCCC2
InChIInChI=1S/C10H17NO/c1-8-10(7-9(12)11-8)5-3-2-4-6-10/h8H,2-7H2,1H3,(H,11,12)
InChIKeyJKQFJIDWZRIQSM-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.85
Rot. Bonds

About 1-methyl-2-azaspiro[4.5]decan-3-one

1-methyl-2-azaspiro[4.5]decan-3-one (PubChem CID 66108261) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-methyl-2-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name1-methyl-2-azaspiro[4.5]decan-3-one
PubChem CID66108261
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-methyl-2-azaspiro[4.5]decan-3-one
SMILESCC1NC(=O)CC12CCCCC2
InChIInChI=1S/C10H17NO/c1-8-10(7-9(12)11-8)5-3-2-4-6-10/h8H,2-7H2,1H3,(H,11,12)
InChIKeyJKQFJIDWZRIQSM-UHFFFAOYSA-N
XLogP1.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-azaspiro[4.5]decan-3-one?
The IUPAC name of 1-methyl-2-azaspiro[4.5]decan-3-one (CID 66108261) is 1-methyl-2-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 1-methyl-2-azaspiro[4.5]decan-3-one?
The canonical SMILES for 1-methyl-2-azaspiro[4.5]decan-3-one is CC1NC(=O)CC12CCCCC2.
What is the InChIKey of 1-methyl-2-azaspiro[4.5]decan-3-one?
The InChIKey is JKQFJIDWZRIQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-8-10(7-9(12)11-8)5-3-2-4-6-10/h8H,2-7H2,1H3,(H,11,12).
What are the key properties of 1-methyl-2-azaspiro[4.5]decan-3-one?
1-methyl-2-azaspiro[4.5]decan-3-one has a molecular weight of 167.25 g/mol, XLogP of 1.85, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 66108261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).