1-(3,3-dimethylpyrrolidin-1-yl)-3-(3-methoxycyclobutyl)propan-1-one

C14H25NO2 — CID 123906891

IUPAC1-(3,3-dimethylpyrrolidin-1-yl)-3-(3-methoxycyclobutyl)propan-1-one
SMILESCOC1CC(CCC(=O)N2CCC(C)(C)C2)C1
InChIInChI=1S/C14H25NO2/c1-14(2)6-7-15(10-14)13(16)5-4-11-8-12(9-11)17-3/h11-12H,4-10H2,1-3H3
InChIKeyGALYEACWHYUBIB-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.45
Rot. Bonds4

About 1-(3,3-dimethylpyrrolidin-1-yl)-3-(3-methoxycyclobutyl)propan-1-one

1-(3,3-dimethylpyrrolidin-1-yl)-3-(3-methoxycyclobutyl)propan-1-one (PubChem CID 123906891) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(3,3-dimethylpyrrolidin-1-yl)-3-(3-methoxycyclobutyl)propan-1-one.

Molecular Properties

Compound Name1-(3,3-dimethylpyrrolidin-1-yl)-3-(3-methoxycyclobutyl)propan-1-one
PubChem CID123906891
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name1-(3,3-dimethylpyrrolidin-1-yl)-3-(3-methoxycyclobutyl)propan-1-one
SMILESCOC1CC(CCC(=O)N2CCC(C)(C)C2)C1
InChIInChI=1S/C14H25NO2/c1-14(2)6-7-15(10-14)13(16)5-4-11-8-12(9-11)17-3/h11-12H,4-10H2,1-3H3
InChIKeyGALYEACWHYUBIB-UHFFFAOYSA-N
XLogP2.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclohexyl-(3-methoxy-7-azaspiro[3.5]nonan-7-yl)methanone
CID 110197924
Cyclopentyl-(3-methoxy-7-azaspiro[3.5]nonan-7-yl)methanone
CID 110197944
(3S,5S)-3-methoxy-5-methyl-1-pyrrolidin-1-ylheptan-1-one
CID 156412765
2-cyclopentyl-N-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methylacetamide
CID 99810239
2-cyclopentyl-N-[(1S,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methylacetamide
CID 99810240
2-cyclopentyl-N-[(1R,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methylacetamide
CID 99810241
2-cyclopentyl-N-[(1R,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methylacetamide
CID 99810242
2-cyclopentyl-N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methylacetamide
CID 102557925
[3-(1-Hydroxyethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone
CID 110023581
2-Cyclopentyl-1-(3-methoxy-7-azaspiro[3.5]nonan-7-yl)ethanone
CID 110197951
(4S,5R)-1-acetyl-4-butyl-5-propan-2-yloxypyrrolidin-2-one
CID 131848405

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylpyrrolidin-1-yl)-3-(3-methoxycyclobutyl)propan-1-one?
The IUPAC name of 1-(3,3-dimethylpyrrolidin-1-yl)-3-(3-methoxycyclobutyl)propan-1-one (CID 123906891) is 1-(3,3-dimethylpyrrolidin-1-yl)-3-(3-methoxycyclobutyl)propan-1-one.
What is the SMILES notation for 1-(3,3-dimethylpyrrolidin-1-yl)-3-(3-methoxycyclobutyl)propan-1-one?
The canonical SMILES for 1-(3,3-dimethylpyrrolidin-1-yl)-3-(3-methoxycyclobutyl)propan-1-one is COC1CC(CCC(=O)N2CCC(C)(C)C2)C1.
What is the InChIKey of 1-(3,3-dimethylpyrrolidin-1-yl)-3-(3-methoxycyclobutyl)propan-1-one?
The InChIKey is GALYEACWHYUBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-14(2)6-7-15(10-14)13(16)5-4-11-8-12(9-11)17-3/h11-12H,4-10H2,1-3H3.
What are the key properties of 1-(3,3-dimethylpyrrolidin-1-yl)-3-(3-methoxycyclobutyl)propan-1-one?
1-(3,3-dimethylpyrrolidin-1-yl)-3-(3-methoxycyclobutyl)propan-1-one has a molecular weight of 239.36 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylpyrrolidin-1-yl)-3-(3-methoxycyclobutyl)propan-1-one is sourced from PubChem (CID 123906891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).