3-cyclopropyl-1-(2-ethylpyrrolidin-2-yl)propan-1-one

C12H21NO — CID 116608261

IUPAC3-cyclopropyl-1-(2-ethylpyrrolidin-2-yl)propan-1-one
SMILESCCC1(C(=O)CCC2CC2)CCCN1
InChIInChI=1S/C12H21NO/c1-2-12(8-3-9-13-12)11(14)7-6-10-4-5-10/h10,13H,2-9H2,1H3
InChIKeyIVOWKXFRNZEQHD-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.28
Rot. Bonds5

About 3-cyclopropyl-1-(2-ethylpyrrolidin-2-yl)propan-1-one

3-cyclopropyl-1-(2-ethylpyrrolidin-2-yl)propan-1-one (PubChem CID 116608261) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2-ethylpyrrolidin-2-yl)propan-1-one.

Molecular Properties

Compound Name3-cyclopropyl-1-(2-ethylpyrrolidin-2-yl)propan-1-one
PubChem CID116608261
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3-cyclopropyl-1-(2-ethylpyrrolidin-2-yl)propan-1-one
SMILESCCC1(C(=O)CCC2CC2)CCCN1
InChIInChI=1S/C12H21NO/c1-2-12(8-3-9-13-12)11(14)7-6-10-4-5-10/h10,13H,2-9H2,1H3
InChIKeyIVOWKXFRNZEQHD-UHFFFAOYSA-N
XLogP2.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(2-ethylpyrrolidine-2-carbonyl)piperidin-4-yl]propanoic acid
CID 83071372
cyclopropyl-(2-ethylpyrrolidin-2-yl)methanone
CID 116608291
1-(2-ethylpyrrolidin-2-yl)-3-propylsulfonylpropan-1-one
CID 106736874
1-(2-ethylpyrrolidin-2-yl)-3-propan-2-ylsulfonylpropan-1-one
CID 106736872
1-(2-ethylpyrrolidin-2-yl)-3-methylpentan-1-one
CID 116608093
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(2-ethylpyrrolidin-2-yl)methanone
CID 83073309
N-cyclopropyl-2-ethyl-N-methylpyrrolidine-2-carboxamide
CID 83080870
1-(2-propylpyrrolidin-2-yl)octan-1-one
CID 106976688
1-(2-ethylpyrrolidin-2-yl)-3-methylhexan-1-one
CID 116608171
3-cyclohexyl-1-(4-ethylpiperidin-4-yl)propan-1-one
CID 114193556
N-cyclopropyl-2-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 83072457
1-(2-ethylpyrrolidin-2-yl)prop-2-en-1-one
CID 116608144

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2-ethylpyrrolidin-2-yl)propan-1-one?
The IUPAC name of 3-cyclopropyl-1-(2-ethylpyrrolidin-2-yl)propan-1-one (CID 116608261) is 3-cyclopropyl-1-(2-ethylpyrrolidin-2-yl)propan-1-one.
What is the SMILES notation for 3-cyclopropyl-1-(2-ethylpyrrolidin-2-yl)propan-1-one?
The canonical SMILES for 3-cyclopropyl-1-(2-ethylpyrrolidin-2-yl)propan-1-one is CCC1(C(=O)CCC2CC2)CCCN1.
What is the InChIKey of 3-cyclopropyl-1-(2-ethylpyrrolidin-2-yl)propan-1-one?
The InChIKey is IVOWKXFRNZEQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-2-12(8-3-9-13-12)11(14)7-6-10-4-5-10/h10,13H,2-9H2,1H3.
What are the key properties of 3-cyclopropyl-1-(2-ethylpyrrolidin-2-yl)propan-1-one?
3-cyclopropyl-1-(2-ethylpyrrolidin-2-yl)propan-1-one has a molecular weight of 195.31 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2-ethylpyrrolidin-2-yl)propan-1-one is sourced from PubChem (CID 116608261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).