3-[(1-ethylcyclobutyl)methyl]-2-methyl-1,3-diazaspiro[4.4]nonan-4-one

C15H26N2O — CID 114109762

IUPAC3-[(1-ethylcyclobutyl)methyl]-2-methyl-1,3-diazaspiro[4.4]nonan-4-one
SMILESCCC1(CN2C(=O)C3(CCCC3)NC2C)CCC1
InChIInChI=1S/C15H26N2O/c1-3-14(7-6-8-14)11-17-12(2)16-15(13(17)18)9-4-5-10-15/h12,16H,3-11H2,1-2H3
InChIKeyQJXVCLLHPUNRSR-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.66
Rot. Bonds3

About 3-[(1-ethylcyclobutyl)methyl]-2-methyl-1,3-diazaspiro[4.4]nonan-4-one

3-[(1-ethylcyclobutyl)methyl]-2-methyl-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 114109762) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-[(1-ethylcyclobutyl)methyl]-2-methyl-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name3-[(1-ethylcyclobutyl)methyl]-2-methyl-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID114109762
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name3-[(1-ethylcyclobutyl)methyl]-2-methyl-1,3-diazaspiro[4.4]nonan-4-one
SMILESCCC1(CN2C(=O)C3(CCCC3)NC2C)CCC1
InChIInChI=1S/C15H26N2O/c1-3-14(7-6-8-14)11-17-12(2)16-15(13(17)18)9-4-5-10-15/h12,16H,3-11H2,1-2H3
InChIKeyQJXVCLLHPUNRSR-UHFFFAOYSA-N
XLogP2.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylcyclobutyl)methyl]-2-methyl-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 3-[(1-ethylcyclobutyl)methyl]-2-methyl-1,3-diazaspiro[4.4]nonan-4-one (CID 114109762) is 3-[(1-ethylcyclobutyl)methyl]-2-methyl-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 3-[(1-ethylcyclobutyl)methyl]-2-methyl-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 3-[(1-ethylcyclobutyl)methyl]-2-methyl-1,3-diazaspiro[4.4]nonan-4-one is CCC1(CN2C(=O)C3(CCCC3)NC2C)CCC1.
What is the InChIKey of 3-[(1-ethylcyclobutyl)methyl]-2-methyl-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is QJXVCLLHPUNRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-3-14(7-6-8-14)11-17-12(2)16-15(13(17)18)9-4-5-10-15/h12,16H,3-11H2,1-2H3.
What are the key properties of 3-[(1-ethylcyclobutyl)methyl]-2-methyl-1,3-diazaspiro[4.4]nonan-4-one?
3-[(1-ethylcyclobutyl)methyl]-2-methyl-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 250.39 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylcyclobutyl)methyl]-2-methyl-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 114109762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).