1-cyclobutyl-3-methyl-3-pyrrolidin-1-ylpentan-2-one

C14H25NO — CID 79069007

IUPAC1-cyclobutyl-3-methyl-3-pyrrolidin-1-ylpentan-2-one
SMILESCCC(C)(C(=O)CC1CCC1)N1CCCC1
InChIInChI=1S/C14H25NO/c1-3-14(2,15-9-4-5-10-15)13(16)11-12-7-6-8-12/h12H,3-11H2,1-2H3
InChIKeySTDNFNQKKLUWJO-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.01
Rot. Bonds5

About 1-cyclobutyl-3-methyl-3-pyrrolidin-1-ylpentan-2-one

1-cyclobutyl-3-methyl-3-pyrrolidin-1-ylpentan-2-one (PubChem CID 79069007) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-cyclobutyl-3-methyl-3-pyrrolidin-1-ylpentan-2-one.

Molecular Properties

Compound Name1-cyclobutyl-3-methyl-3-pyrrolidin-1-ylpentan-2-one
PubChem CID79069007
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-cyclobutyl-3-methyl-3-pyrrolidin-1-ylpentan-2-one
SMILESCCC(C)(C(=O)CC1CCC1)N1CCCC1
InChIInChI=1S/C14H25NO/c1-3-14(2,15-9-4-5-10-15)13(16)11-12-7-6-8-12/h12H,3-11H2,1-2H3
InChIKeySTDNFNQKKLUWJO-UHFFFAOYSA-N
XLogP3.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-4-piperidin-1-ylhexan-3-one
CID 79069360
1-(2-bicyclo[2.2.1]heptanyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-one
CID 79558530
5-methyl-5-pyrrolidin-1-ylhept-1-en-4-one
CID 79069168
6-ethyl-3-methyl-3-pyrrolidin-1-yloctan-4-one
CID 82920402
2,5-dimethyl-5-piperidin-1-ylheptan-4-one
CID 79064976
3,8,8-trimethyl-3-piperidin-1-ylnon-6-yn-4-one
CID 114190128
1-ethylsulfonyl-5-methyl-5-pyrrolidin-1-ylheptan-4-one
CID 79068853
1-(2-chlorophenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-one
CID 79068763
3-amino-1-cyclobutyl-3-cyclopropylbutan-2-one
CID 116558426
3-(aminomethyl)-1-cyclohexyl-3-ethylpentan-2-one
CID 116603857
1-cyclopentyl-3,3,4,4-tetramethylpentan-2-one
CID 160740910
2,5-dimethyl-5-piperidin-1-ylhept-2-en-4-one
CID 79189935

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-methyl-3-pyrrolidin-1-ylpentan-2-one?
The IUPAC name of 1-cyclobutyl-3-methyl-3-pyrrolidin-1-ylpentan-2-one (CID 79069007) is 1-cyclobutyl-3-methyl-3-pyrrolidin-1-ylpentan-2-one.
What is the SMILES notation for 1-cyclobutyl-3-methyl-3-pyrrolidin-1-ylpentan-2-one?
The canonical SMILES for 1-cyclobutyl-3-methyl-3-pyrrolidin-1-ylpentan-2-one is CCC(C)(C(=O)CC1CCC1)N1CCCC1.
What is the InChIKey of 1-cyclobutyl-3-methyl-3-pyrrolidin-1-ylpentan-2-one?
The InChIKey is STDNFNQKKLUWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-3-14(2,15-9-4-5-10-15)13(16)11-12-7-6-8-12/h12H,3-11H2,1-2H3.
What are the key properties of 1-cyclobutyl-3-methyl-3-pyrrolidin-1-ylpentan-2-one?
1-cyclobutyl-3-methyl-3-pyrrolidin-1-ylpentan-2-one has a molecular weight of 223.36 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-methyl-3-pyrrolidin-1-ylpentan-2-one is sourced from PubChem (CID 79069007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).