1-(4-ethylphenyl)-2-pyrrolidin-1-ylethanone

C14H19NO — CID 43219356

IUPAC1-(4-ethylphenyl)-2-pyrrolidin-1-ylethanone
SMILESCCc1ccc(C(=O)CN2CCCC2)cc1
InChIInChI=1S/C14H19NO/c1-2-12-5-7-13(8-6-12)14(16)11-15-9-3-4-10-15/h5-8H,2-4,9-11H2,1H3
InChIKeyIYFDAGJWAPRLHU-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.53
Rot. Bonds4

About 1-(4-ethylphenyl)-2-pyrrolidin-1-ylethanone

1-(4-ethylphenyl)-2-pyrrolidin-1-ylethanone (PubChem CID 43219356) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-pyrrolidin-1-ylethanone
PubChem CID43219356
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-(4-ethylphenyl)-2-pyrrolidin-1-ylethanone
SMILESCCc1ccc(C(=O)CN2CCCC2)cc1
InChIInChI=1S/C14H19NO/c1-2-12-5-7-13(8-6-12)14(16)11-15-9-3-4-10-15/h5-8H,2-4,9-11H2,1H3
InChIKeyIYFDAGJWAPRLHU-UHFFFAOYSA-N
XLogP2.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-propylphenyl)-2-pyrrolidin-1-ylethanone
CID 43219358
1-(4-ethylphenyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone
CID 107223659
1-[4-(chloromethyl)phenyl]-2-pyrrolidin-1-ylethanone
CID 154989452
2-(3-aminopiperidin-1-yl)-1-(4-ethylphenyl)ethanone
CID 62036122
ethane;1-(4-methylphenyl)-2-pyrrolidin-1-ylethanone
CID 156853457
1-(4-ethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 106836545
1-[4-(2-phenylethyl)phenyl]-2-piperidin-1-ylethanone
CID 54451511
1-[4-(diethylamino)phenyl]-2-piperidin-1-ylethanone
CID 93193971
2-(3-aminopyrrolidin-1-yl)-1-(4-ethylphenyl)ethanone
CID 55029859
1-(4-fluorophenyl)-2-pyrrolidin-1-ylethanone;hydrochloride
CID 13302047
1-[2-(4-ethylphenyl)-2-oxoethyl]azepane-2,7-dione
CID 62023043
2-[4-(benzenesulfonyl)piperazin-1-yl]-1-(4-ethylphenyl)ethanone
CID 110366810

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-pyrrolidin-1-ylethanone?
The IUPAC name of 1-(4-ethylphenyl)-2-pyrrolidin-1-ylethanone (CID 43219356) is 1-(4-ethylphenyl)-2-pyrrolidin-1-ylethanone.
What is the SMILES notation for 1-(4-ethylphenyl)-2-pyrrolidin-1-ylethanone?
The canonical SMILES for 1-(4-ethylphenyl)-2-pyrrolidin-1-ylethanone is CCc1ccc(C(=O)CN2CCCC2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-pyrrolidin-1-ylethanone?
The InChIKey is IYFDAGJWAPRLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-2-12-5-7-13(8-6-12)14(16)11-15-9-3-4-10-15/h5-8H,2-4,9-11H2,1H3.
What are the key properties of 1-(4-ethylphenyl)-2-pyrrolidin-1-ylethanone?
1-(4-ethylphenyl)-2-pyrrolidin-1-ylethanone has a molecular weight of 217.31 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-pyrrolidin-1-ylethanone is sourced from PubChem (CID 43219356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).