2-phenyl-1-pyrrolidin-1-ylethanone

C12H15NO — CID 3599105

IUPAC2-phenyl-1-pyrrolidin-1-ylethanone
SMILESO=C(Cc1ccccc1)N1CCCC1
InChIInChI=1S/C12H15NO/c14-12(13-8-4-5-9-13)10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2
InChIKeyUAXRBOBBVNXGMJ-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.85
Rot. Bonds2

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

2-phenyl-1-pyrrolidin-1-ylethanone (PubChem CID 3599105) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-phenyl-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-phenyl-1-pyrrolidin-1-ylethanone
PubChem CID3599105
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name2-phenyl-1-pyrrolidin-1-ylethanone
SMILESO=C(Cc1ccccc1)N1CCCC1
InChIInChI=1S/C12H15NO/c14-12(13-8-4-5-9-13)10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2
InChIKeyUAXRBOBBVNXGMJ-UHFFFAOYSA-N
XLogP1.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-phenyl-1-pyrrolidin-1-ylethanone (CID 3599105) is 2-phenyl-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-phenyl-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-phenyl-1-pyrrolidin-1-ylethanone is O=C(Cc1ccccc1)N1CCCC1.
What is the InChIKey of 2-phenyl-1-pyrrolidin-1-ylethanone?
The InChIKey is UAXRBOBBVNXGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c14-12(13-8-4-5-9-13)10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2.
What are the key properties of 2-phenyl-1-pyrrolidin-1-ylethanone?
2-phenyl-1-pyrrolidin-1-ylethanone has a molecular weight of 189.26 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 3599105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).