3-cyclopentyl-1-pyrrolidin-1-ylpropan-1-one

C12H21NO — CID 5053787

IUPAC3-cyclopentyl-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCC1CCCC1)N1CCCC1
InChIInChI=1S/C12H21NO/c14-12(13-9-3-4-10-13)8-7-11-5-1-2-6-11/h11H,1-10H2
InChIKeyQNSQANVPHXTUQU-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.58
Rot. Bonds3

About 3-cyclopentyl-1-pyrrolidin-1-ylpropan-1-one

3-cyclopentyl-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 5053787) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-cyclopentyl-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-pyrrolidin-1-ylpropan-1-one
PubChem CID5053787
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3-cyclopentyl-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCC1CCCC1)N1CCCC1
InChIInChI=1S/C12H21NO/c14-12(13-9-3-4-10-13)8-7-11-5-1-2-6-11/h11H,1-10H2
InChIKeyQNSQANVPHXTUQU-UHFFFAOYSA-N
XLogP2.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-cyclopentyl-1-pyrrolidin-1-ylpropan-1-one (CID 5053787) is 3-cyclopentyl-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-cyclopentyl-1-pyrrolidin-1-ylpropan-1-one is O=C(CCC1CCCC1)N1CCCC1.
What is the InChIKey of 3-cyclopentyl-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is QNSQANVPHXTUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c14-12(13-9-3-4-10-13)8-7-11-5-1-2-6-11/h11H,1-10H2.
What are the key properties of 3-cyclopentyl-1-pyrrolidin-1-ylpropan-1-one?
3-cyclopentyl-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 195.31 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 5053787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).