1-phenyl-2-pyrrolidin-1-ylbutan-1-one

C14H19NO — CID 23199082

IUPAC1-phenyl-2-pyrrolidin-1-ylbutan-1-one
SMILESCCC(C(=O)c1ccccc1)N1CCCC1
InChIInChI=1S/C14H19NO/c1-2-13(15-10-6-7-11-15)14(16)12-8-4-3-5-9-12/h3-5,8-9,13H,2,6-7,10-11H2,1H3
InChIKeyGSESDIFGJCCBHN-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.74
Rot. Bonds4

About 1-phenyl-2-pyrrolidin-1-ylbutan-1-one

1-phenyl-2-pyrrolidin-1-ylbutan-1-one (PubChem CID 23199082) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-phenyl-2-pyrrolidin-1-ylbutan-1-one.

Molecular Properties

Compound Name1-phenyl-2-pyrrolidin-1-ylbutan-1-one
PubChem CID23199082
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-phenyl-2-pyrrolidin-1-ylbutan-1-one
SMILESCCC(C(=O)c1ccccc1)N1CCCC1
InChIInChI=1S/C14H19NO/c1-2-13(15-10-6-7-11-15)14(16)12-8-4-3-5-9-12/h3-5,8-9,13H,2,6-7,10-11H2,1H3
InChIKeyGSESDIFGJCCBHN-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
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-ylbutan-1-one?
The IUPAC name of 1-phenyl-2-pyrrolidin-1-ylbutan-1-one (CID 23199082) is 1-phenyl-2-pyrrolidin-1-ylbutan-1-one.
What is the SMILES notation for 1-phenyl-2-pyrrolidin-1-ylbutan-1-one?
The canonical SMILES for 1-phenyl-2-pyrrolidin-1-ylbutan-1-one is CCC(C(=O)c1ccccc1)N1CCCC1.
What is the InChIKey of 1-phenyl-2-pyrrolidin-1-ylbutan-1-one?
The InChIKey is GSESDIFGJCCBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-2-13(15-10-6-7-11-15)14(16)12-8-4-3-5-9-12/h3-5,8-9,13H,2,6-7,10-11H2,1H3.
What are the key properties of 1-phenyl-2-pyrrolidin-1-ylbutan-1-one?
1-phenyl-2-pyrrolidin-1-ylbutan-1-one has a molecular weight of 217.31 g/mol, XLogP of 2.74, 4 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-ylbutan-1-one is sourced from PubChem (CID 23199082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).