1-(4-ethyl-1-propan-2-ylpyrrolidin-2-yl)-2-methylpropan-1-one

C13H25NO — CID 20743611

IUPAC1-(4-ethyl-1-propan-2-ylpyrrolidin-2-yl)-2-methylpropan-1-one
SMILESCCC1CC(C(=O)C(C)C)N(C(C)C)C1
InChIInChI=1S/C13H25NO/c1-6-11-7-12(13(15)9(2)3)14(8-11)10(4)5/h9-12H,6-8H2,1-5H3
InChIKeyIAFKOQSOAUETIS-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.72
Rot. Bonds4

About 1-(4-ethyl-1-propan-2-ylpyrrolidin-2-yl)-2-methylpropan-1-one

1-(4-ethyl-1-propan-2-ylpyrrolidin-2-yl)-2-methylpropan-1-one (PubChem CID 20743611) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(4-ethyl-1-propan-2-ylpyrrolidin-2-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4-ethyl-1-propan-2-ylpyrrolidin-2-yl)-2-methylpropan-1-one
PubChem CID20743611
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-(4-ethyl-1-propan-2-ylpyrrolidin-2-yl)-2-methylpropan-1-one
SMILESCCC1CC(C(=O)C(C)C)N(C(C)C)C1
InChIInChI=1S/C13H25NO/c1-6-11-7-12(13(15)9(2)3)14(8-11)10(4)5/h9-12H,6-8H2,1-5H3
InChIKeyIAFKOQSOAUETIS-UHFFFAOYSA-N
XLogP2.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-Methylpyrrolidin-2-yl)cyclohexan-1-one
CID 71683276
2,2-dimethyl-1-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one
CID 10080791
Isoleucyl-cyano-pyrrolidine
CID 10285885
2,2-Dimethyl-1-(1-methylpyrrolidin-2-YL)propan-1-one
CID 15758088
2,2-dimethyl-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-one
CID 59080127
1-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one
CID 59476484
1-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]-2-methylpropan-1-one
CID 59668708
1-(4-Fluoro-1-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one
CID 72302814
1-(4-Fluoro-1-methylpyrrolidin-2-yl)-2-methylpropan-1-one
CID 72352942
1-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]-2-methylpropan-1-one
CID 89692017
2-methyl-1-[(2S,5R)-1-propan-2-yl-5-(trifluoromethyl)pyrrolidin-2-yl]propan-1-one
CID 122532887
1-[(2S,4R,5S)-4-fluoro-5-methyl-1-propan-2-ylpyrrolidin-2-yl]-2-methylpropan-1-one
CID 122532889

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-1-propan-2-ylpyrrolidin-2-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(4-ethyl-1-propan-2-ylpyrrolidin-2-yl)-2-methylpropan-1-one (CID 20743611) is 1-(4-ethyl-1-propan-2-ylpyrrolidin-2-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(4-ethyl-1-propan-2-ylpyrrolidin-2-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(4-ethyl-1-propan-2-ylpyrrolidin-2-yl)-2-methylpropan-1-one is CCC1CC(C(=O)C(C)C)N(C(C)C)C1.
What is the InChIKey of 1-(4-ethyl-1-propan-2-ylpyrrolidin-2-yl)-2-methylpropan-1-one?
The InChIKey is IAFKOQSOAUETIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-6-11-7-12(13(15)9(2)3)14(8-11)10(4)5/h9-12H,6-8H2,1-5H3.
What are the key properties of 1-(4-ethyl-1-propan-2-ylpyrrolidin-2-yl)-2-methylpropan-1-one?
1-(4-ethyl-1-propan-2-ylpyrrolidin-2-yl)-2-methylpropan-1-one has a molecular weight of 211.35 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-1-propan-2-ylpyrrolidin-2-yl)-2-methylpropan-1-one is sourced from PubChem (CID 20743611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).