4-phenyl-1-[5-(pyrrolidine-1-carbonyl)cyclopenten-1-yl]butan-1-one

C20H25NO2 — CID 11186021

IUPAC4-phenyl-1-[5-(pyrrolidine-1-carbonyl)cyclopenten-1-yl]butan-1-one
SMILESO=C(CCCc1ccccc1)C1=CCCC1C(=O)N1CCCC1
InChIInChI=1S/C20H25NO2/c22-19(13-6-10-16-8-2-1-3-9-16)17-11-7-12-18(17)20(23)21-14-4-5-15-21/h1-3,8-9,11,18H,4-7,10,12-15H2
InChIKeyJFQQNRVTXZTKKE-UHFFFAOYSA-N
MW311.42 g/mol
LogP3.54
Rot. Bonds6

About 4-phenyl-1-[5-(pyrrolidine-1-carbonyl)cyclopenten-1-yl]butan-1-one

4-phenyl-1-[5-(pyrrolidine-1-carbonyl)cyclopenten-1-yl]butan-1-one (PubChem CID 11186021) has the molecular formula C20H25NO2 and a molecular weight of 311.42 g/mol. Its IUPAC name is 4-phenyl-1-[5-(pyrrolidine-1-carbonyl)cyclopenten-1-yl]butan-1-one.

Molecular Properties

Compound Name4-phenyl-1-[5-(pyrrolidine-1-carbonyl)cyclopenten-1-yl]butan-1-one
PubChem CID11186021
Molecular FormulaC20H25NO2
Molecular Weight311.42 g/mol
Exact Mass311.19
IUPAC Name4-phenyl-1-[5-(pyrrolidine-1-carbonyl)cyclopenten-1-yl]butan-1-one
SMILESO=C(CCCc1ccccc1)C1=CCCC1C(=O)N1CCCC1
InChIInChI=1S/C20H25NO2/c22-19(13-6-10-16-8-2-1-3-9-16)17-11-7-12-18(17)20(23)21-14-4-5-15-21/h1-3,8-9,11,18H,4-7,10,12-15H2
InChIKeyJFQQNRVTXZTKKE-UHFFFAOYSA-N
XLogP3.54
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.42
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-[5-(pyrrolidine-1-carbonyl)cyclopenten-1-yl]butan-1-one?
The IUPAC name of 4-phenyl-1-[5-(pyrrolidine-1-carbonyl)cyclopenten-1-yl]butan-1-one (CID 11186021) is 4-phenyl-1-[5-(pyrrolidine-1-carbonyl)cyclopenten-1-yl]butan-1-one.
What is the SMILES notation for 4-phenyl-1-[5-(pyrrolidine-1-carbonyl)cyclopenten-1-yl]butan-1-one?
The canonical SMILES for 4-phenyl-1-[5-(pyrrolidine-1-carbonyl)cyclopenten-1-yl]butan-1-one is O=C(CCCc1ccccc1)C1=CCCC1C(=O)N1CCCC1.
What is the InChIKey of 4-phenyl-1-[5-(pyrrolidine-1-carbonyl)cyclopenten-1-yl]butan-1-one?
The InChIKey is JFQQNRVTXZTKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c22-19(13-6-10-16-8-2-1-3-9-16)17-11-7-12-18(17)20(23)21-14-4-5-15-21/h1-3,8-9,11,18H,4-7,10,12-15H2.
What are the key properties of 4-phenyl-1-[5-(pyrrolidine-1-carbonyl)cyclopenten-1-yl]butan-1-one?
4-phenyl-1-[5-(pyrrolidine-1-carbonyl)cyclopenten-1-yl]butan-1-one has a molecular weight of 311.42 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-[5-(pyrrolidine-1-carbonyl)cyclopenten-1-yl]butan-1-one is sourced from PubChem (CID 11186021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).