1-phenyl-2-pyrrolidin-1-ylethanone

C12H15NO — CID 11095393

IUPAC1-phenyl-2-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCCC1)c1ccccc1
InChIInChI=1S/C12H15NO/c14-12(10-13-8-4-5-9-13)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2
InChIKeyRGYPPSMWECQPTB-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.97
Rot. Bonds3

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

1-phenyl-2-pyrrolidin-1-ylethanone (PubChem CID 11095393) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-phenyl-2-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name1-phenyl-2-pyrrolidin-1-ylethanone
PubChem CID11095393
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1-phenyl-2-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCCC1)c1ccccc1
InChIInChI=1S/C12H15NO/c14-12(10-13-8-4-5-9-13)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2
InChIKeyRGYPPSMWECQPTB-UHFFFAOYSA-N
XLogP1.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-pyrrolidin-1-ylethanone?
The IUPAC name of 1-phenyl-2-pyrrolidin-1-ylethanone (CID 11095393) is 1-phenyl-2-pyrrolidin-1-ylethanone.
What is the SMILES notation for 1-phenyl-2-pyrrolidin-1-ylethanone?
The canonical SMILES for 1-phenyl-2-pyrrolidin-1-ylethanone is O=C(CN1CCCC1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-pyrrolidin-1-ylethanone?
The InChIKey is RGYPPSMWECQPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c14-12(10-13-8-4-5-9-13)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2.
What are the key properties of 1-phenyl-2-pyrrolidin-1-ylethanone?
1-phenyl-2-pyrrolidin-1-ylethanone has a molecular weight of 189.26 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-pyrrolidin-1-ylethanone is sourced from PubChem (CID 11095393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).