1-phenyl-2-pyrrolidin-1-ylpentan-1-one

C15H21NO — CID 11148955

IUPAC1-phenyl-2-pyrrolidin-1-ylpentan-1-one
SMILESCCCC(C(=O)c1ccccc1)N1CCCC1
InChIInChI=1S/C15H21NO/c1-2-8-14(16-11-6-7-12-16)15(17)13-9-4-3-5-10-13/h3-5,9-10,14H,2,6-8,11-12H2,1H3
InChIKeyYDIIDRWHPFMLGR-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.13
Rot. Bonds5

About 1-phenyl-2-pyrrolidin-1-ylpentan-1-one

1-phenyl-2-pyrrolidin-1-ylpentan-1-one (PubChem CID 11148955) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-phenyl-2-pyrrolidin-1-ylpentan-1-one.

Molecular Properties

Compound Name1-phenyl-2-pyrrolidin-1-ylpentan-1-one
PubChem CID11148955
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-phenyl-2-pyrrolidin-1-ylpentan-1-one
SMILESCCCC(C(=O)c1ccccc1)N1CCCC1
InChIInChI=1S/C15H21NO/c1-2-8-14(16-11-6-7-12-16)15(17)13-9-4-3-5-10-13/h3-5,9-10,14H,2,6-8,11-12H2,1H3
InChIKeyYDIIDRWHPFMLGR-UHFFFAOYSA-N
XLogP3.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.13
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-ylpentan-1-one?
The IUPAC name of 1-phenyl-2-pyrrolidin-1-ylpentan-1-one (CID 11148955) is 1-phenyl-2-pyrrolidin-1-ylpentan-1-one.
What is the SMILES notation for 1-phenyl-2-pyrrolidin-1-ylpentan-1-one?
The canonical SMILES for 1-phenyl-2-pyrrolidin-1-ylpentan-1-one is CCCC(C(=O)c1ccccc1)N1CCCC1.
What is the InChIKey of 1-phenyl-2-pyrrolidin-1-ylpentan-1-one?
The InChIKey is YDIIDRWHPFMLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-8-14(16-11-6-7-12-16)15(17)13-9-4-3-5-10-13/h3-5,9-10,14H,2,6-8,11-12H2,1H3.
What are the key properties of 1-phenyl-2-pyrrolidin-1-ylpentan-1-one?
1-phenyl-2-pyrrolidin-1-ylpentan-1-one has a molecular weight of 231.34 g/mol, XLogP of 3.13, 5 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-ylpentan-1-one is sourced from PubChem (CID 11148955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).