2-ethyl-1-(2-phenylcyclopropyl)-2-pyrrolidin-1-ylbutan-1-one

C19H27NO — CID 116517097

IUPAC2-ethyl-1-(2-phenylcyclopropyl)-2-pyrrolidin-1-ylbutan-1-one
SMILESCCC(CC)(C(=O)C1CC1c1ccccc1)N1CCCC1
InChIInChI=1S/C19H27NO/c1-3-19(4-2,20-12-8-9-13-20)18(21)17-14-16(17)15-10-6-5-7-11-15/h5-7,10-11,16-17H,3-4,8-9,12-14H2,1-2H3
InChIKeyLQJYROCKBSQJRV-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.01
Rot. Bonds6

About 2-ethyl-1-(2-phenylcyclopropyl)-2-pyrrolidin-1-ylbutan-1-one

2-ethyl-1-(2-phenylcyclopropyl)-2-pyrrolidin-1-ylbutan-1-one (PubChem CID 116517097) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-ethyl-1-(2-phenylcyclopropyl)-2-pyrrolidin-1-ylbutan-1-one.

Molecular Properties

Compound Name2-ethyl-1-(2-phenylcyclopropyl)-2-pyrrolidin-1-ylbutan-1-one
PubChem CID116517097
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name2-ethyl-1-(2-phenylcyclopropyl)-2-pyrrolidin-1-ylbutan-1-one
SMILESCCC(CC)(C(=O)C1CC1c1ccccc1)N1CCCC1
InChIInChI=1S/C19H27NO/c1-3-19(4-2,20-12-8-9-13-20)18(21)17-14-16(17)15-10-6-5-7-11-15/h5-7,10-11,16-17H,3-4,8-9,12-14H2,1-2H3
InChIKeyLQJYROCKBSQJRV-UHFFFAOYSA-N
XLogP4.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-1-(2-phenylcyclopropyl)propan-1-one
CID 76612897
2-ethyl-1-phenyl-2-pyrrolidin-1-ylbutan-1-one
CID 79067649
2,2,2-trifluoro-1-[(1R,2R)-2-phenylcyclopropyl]ethanone
CID 45081115
1-cyclopropyl-2-ethyl-2-pyrrolidin-1-ylbutan-1-one
CID 79067804
2-methyl-2-phenyl-1-(2-phenylcyclopropyl)propan-1-one
CID 116517019
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
[(2R)-2-ethylpiperidin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone
CID 124714524
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
N-(1-bromo-2-methylbutan-2-yl)-2-phenylcyclopropane-1-carboxamide
CID 113275566
2-(azocan-1-yl)-2-ethylbutanoic acid
CID 82238451
N-(2-hydroxy-2-methylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 79039782
2-chloro-1-[(1S,2R)-2-phenylcyclopropyl]ethanone
CID 164769669

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-phenylcyclopropyl)-2-pyrrolidin-1-ylbutan-1-one?
The IUPAC name of 2-ethyl-1-(2-phenylcyclopropyl)-2-pyrrolidin-1-ylbutan-1-one (CID 116517097) is 2-ethyl-1-(2-phenylcyclopropyl)-2-pyrrolidin-1-ylbutan-1-one.
What is the SMILES notation for 2-ethyl-1-(2-phenylcyclopropyl)-2-pyrrolidin-1-ylbutan-1-one?
The canonical SMILES for 2-ethyl-1-(2-phenylcyclopropyl)-2-pyrrolidin-1-ylbutan-1-one is CCC(CC)(C(=O)C1CC1c1ccccc1)N1CCCC1.
What is the InChIKey of 2-ethyl-1-(2-phenylcyclopropyl)-2-pyrrolidin-1-ylbutan-1-one?
The InChIKey is LQJYROCKBSQJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-3-19(4-2,20-12-8-9-13-20)18(21)17-14-16(17)15-10-6-5-7-11-15/h5-7,10-11,16-17H,3-4,8-9,12-14H2,1-2H3.
What are the key properties of 2-ethyl-1-(2-phenylcyclopropyl)-2-pyrrolidin-1-ylbutan-1-one?
2-ethyl-1-(2-phenylcyclopropyl)-2-pyrrolidin-1-ylbutan-1-one has a molecular weight of 285.43 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-phenylcyclopropyl)-2-pyrrolidin-1-ylbutan-1-one is sourced from PubChem (CID 116517097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).