1,4,7-trimethyl-2-azaspiro[4.5]decan-3-one

C12H21NO — CID 130927733

IUPAC1,4,7-trimethyl-2-azaspiro[4.5]decan-3-one
SMILESCC1CCCC2(C1)C(C)NC(=O)C2C
InChIInChI=1S/C12H21NO/c1-8-5-4-6-12(7-8)9(2)11(14)13-10(12)3/h8-10H,4-7H2,1-3H3,(H,13,14)
InChIKeyGFRKTBULLBRTLN-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.34
Rot. Bonds

About 1,4,7-trimethyl-2-azaspiro[4.5]decan-3-one

1,4,7-trimethyl-2-azaspiro[4.5]decan-3-one (PubChem CID 130927733) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1,4,7-trimethyl-2-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name1,4,7-trimethyl-2-azaspiro[4.5]decan-3-one
PubChem CID130927733
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1,4,7-trimethyl-2-azaspiro[4.5]decan-3-one
SMILESCC1CCCC2(C1)C(C)NC(=O)C2C
InChIInChI=1S/C12H21NO/c1-8-5-4-6-12(7-8)9(2)11(14)13-10(12)3/h8-10H,4-7H2,1-3H3,(H,13,14)
InChIKeyGFRKTBULLBRTLN-UHFFFAOYSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,4,7-trimethyl-2-azaspiro[4.5]decan-3-one?
The IUPAC name of 1,4,7-trimethyl-2-azaspiro[4.5]decan-3-one (CID 130927733) is 1,4,7-trimethyl-2-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 1,4,7-trimethyl-2-azaspiro[4.5]decan-3-one?
The canonical SMILES for 1,4,7-trimethyl-2-azaspiro[4.5]decan-3-one is CC1CCCC2(C1)C(C)NC(=O)C2C.
What is the InChIKey of 1,4,7-trimethyl-2-azaspiro[4.5]decan-3-one?
The InChIKey is GFRKTBULLBRTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-8-5-4-6-12(7-8)9(2)11(14)13-10(12)3/h8-10H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 1,4,7-trimethyl-2-azaspiro[4.5]decan-3-one?
1,4,7-trimethyl-2-azaspiro[4.5]decan-3-one has a molecular weight of 195.31 g/mol, XLogP of 2.34, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7-trimethyl-2-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 130927733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).