1-phenyl-2-pyrrolidin-2-ylethanone

C12H15NO — CID 14176779

IUPAC1-phenyl-2-pyrrolidin-2-ylethanone
SMILESO=C(CC1CCCN1)c1ccccc1
InChIInChI=1S/C12H15NO/c14-12(9-11-7-4-8-13-11)10-5-2-1-3-6-10/h1-3,5-6,11,13H,4,7-9H2
InChIKeySJHOOUNXLQLKHI-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.01
Rot. Bonds3

About 1-phenyl-2-pyrrolidin-2-ylethanone

1-phenyl-2-pyrrolidin-2-ylethanone (PubChem CID 14176779) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-phenyl-2-pyrrolidin-2-ylethanone.

Molecular Properties

Compound Name1-phenyl-2-pyrrolidin-2-ylethanone
PubChem CID14176779
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1-phenyl-2-pyrrolidin-2-ylethanone
SMILESO=C(CC1CCCN1)c1ccccc1
InChIInChI=1S/C12H15NO/c14-12(9-11-7-4-8-13-11)10-5-2-1-3-6-10/h1-3,5-6,11,13H,4,7-9H2
InChIKeySJHOOUNXLQLKHI-UHFFFAOYSA-N
XLogP2.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-2-[(2S)-pyrrolidin-2-yl]ethanone
CID 96581833
1-(4-hydroxyphenyl)-2-pyrrolidin-2-ylethanone
CID 71390578
2-[(6R)-6-phenacylpiperidin-2-yl]-1-phenylethanone
CID 59710006
1-(4-ethylphenyl)-2-pyrrolidin-2-ylethanone
CID 79537623
1-[4-(3-phenoxypropoxy)phenyl]-2-piperidin-2-ylethanone
CID 22237356
1-(3-aminophenyl)-2-piperidin-2-ylethanone
CID 84683969
2-morpholin-3-yl-1-phenylethanone
CID 14753828
2-[(3R)-morpholin-3-yl]-1-phenylethanone
CID 95396636
1-(2-hydroxyphenyl)-2-piperidin-2-ylethanone
CID 84684796
1-(2-cyclobutylphenyl)-2-pyrrolidin-2-ylethanone
CID 114607499
2-pyrrolidin-2-yl-1-thiophen-2-ylethanone
CID 71755530
4-phenyl-1-[(2S)-pyrrolidin-2-yl]butan-2-one
CID 70184380

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-pyrrolidin-2-ylethanone?
The IUPAC name of 1-phenyl-2-pyrrolidin-2-ylethanone (CID 14176779) is 1-phenyl-2-pyrrolidin-2-ylethanone.
What is the SMILES notation for 1-phenyl-2-pyrrolidin-2-ylethanone?
The canonical SMILES for 1-phenyl-2-pyrrolidin-2-ylethanone is O=C(CC1CCCN1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-pyrrolidin-2-ylethanone?
The InChIKey is SJHOOUNXLQLKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c14-12(9-11-7-4-8-13-11)10-5-2-1-3-6-10/h1-3,5-6,11,13H,4,7-9H2.
What are the key properties of 1-phenyl-2-pyrrolidin-2-ylethanone?
1-phenyl-2-pyrrolidin-2-ylethanone has a molecular weight of 189.26 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-pyrrolidin-2-ylethanone is sourced from PubChem (CID 14176779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).