3-methyl-2-oxo-N-spiro[4.5]decan-8-ylbutanamide

C15H25NO2 — CID 167940683

IUPAC3-methyl-2-oxo-N-spiro[4.5]decan-8-ylbutanamide
SMILESCC(C)C(=O)C(=O)NC1CCC2(CCCC2)CC1
InChIInChI=1S/C15H25NO2/c1-11(2)13(17)14(18)16-12-5-9-15(10-6-12)7-3-4-8-15/h11-12H,3-10H2,1-2H3,(H,16,18)
InChIKeyZSRRYXCKBKLJSN-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.83
Rot. Bonds3

About 3-methyl-2-oxo-N-spiro[4.5]decan-8-ylbutanamide

3-methyl-2-oxo-N-spiro[4.5]decan-8-ylbutanamide (PubChem CID 167940683) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-methyl-2-oxo-N-spiro[4.5]decan-8-ylbutanamide.

Molecular Properties

Compound Name3-methyl-2-oxo-N-spiro[4.5]decan-8-ylbutanamide
PubChem CID167940683
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name3-methyl-2-oxo-N-spiro[4.5]decan-8-ylbutanamide
SMILESCC(C)C(=O)C(=O)NC1CCC2(CCCC2)CC1
InChIInChI=1S/C15H25NO2/c1-11(2)13(17)14(18)16-12-5-9-15(10-6-12)7-3-4-8-15/h11-12H,3-10H2,1-2H3,(H,16,18)
InChIKeyZSRRYXCKBKLJSN-UHFFFAOYSA-N
XLogP2.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxo-N-spiro[4.5]decan-8-ylbutanamide?
The IUPAC name of 3-methyl-2-oxo-N-spiro[4.5]decan-8-ylbutanamide (CID 167940683) is 3-methyl-2-oxo-N-spiro[4.5]decan-8-ylbutanamide.
What is the SMILES notation for 3-methyl-2-oxo-N-spiro[4.5]decan-8-ylbutanamide?
The canonical SMILES for 3-methyl-2-oxo-N-spiro[4.5]decan-8-ylbutanamide is CC(C)C(=O)C(=O)NC1CCC2(CCCC2)CC1.
What is the InChIKey of 3-methyl-2-oxo-N-spiro[4.5]decan-8-ylbutanamide?
The InChIKey is ZSRRYXCKBKLJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-11(2)13(17)14(18)16-12-5-9-15(10-6-12)7-3-4-8-15/h11-12H,3-10H2,1-2H3,(H,16,18).
What are the key properties of 3-methyl-2-oxo-N-spiro[4.5]decan-8-ylbutanamide?
3-methyl-2-oxo-N-spiro[4.5]decan-8-ylbutanamide has a molecular weight of 251.37 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxo-N-spiro[4.5]decan-8-ylbutanamide is sourced from PubChem (CID 167940683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).