(2-benzoylpyrrolidin-1-yl)-cyclobutylmethanone

C16H19NO2 — CID 110394860

IUPAC(2-benzoylpyrrolidin-1-yl)-cyclobutylmethanone
SMILESO=C(c1ccccc1)C1CCCN1C(=O)C1CCC1
InChIInChI=1S/C16H19NO2/c18-15(12-6-2-1-3-7-12)14-10-5-11-17(14)16(19)13-8-4-9-13/h1-3,6-7,13-14H,4-5,8-11H2
InChIKeyZKKPHIWGVRNPRT-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.66
Rot. Bonds3

About (2-benzoylpyrrolidin-1-yl)-cyclobutylmethanone

(2-benzoylpyrrolidin-1-yl)-cyclobutylmethanone (PubChem CID 110394860) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is (2-benzoylpyrrolidin-1-yl)-cyclobutylmethanone.

Molecular Properties

Compound Name(2-benzoylpyrrolidin-1-yl)-cyclobutylmethanone
PubChem CID110394860
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name(2-benzoylpyrrolidin-1-yl)-cyclobutylmethanone
SMILESO=C(c1ccccc1)C1CCCN1C(=O)C1CCC1
InChIInChI=1S/C16H19NO2/c18-15(12-6-2-1-3-7-12)14-10-5-11-17(14)16(19)13-8-4-9-13/h1-3,6-7,13-14H,4-5,8-11H2
InChIKeyZKKPHIWGVRNPRT-UHFFFAOYSA-N
XLogP2.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-1-[(2S)-2-benzoylpyrrolidine-1-carbonyl]pyrrolidin-2-yl]-phenylmethanone
CID 176902068
phenyl 2-benzoylpyrrolidine-1-carboxylate
CID 110357683
[1-(4-methylbenzoyl)pyrrolidin-2-yl]-phenylmethanone
CID 110357637
[1-(4-bromobenzoyl)pyrrolidin-2-yl]-phenylmethanone
CID 110357643
[1-(2-bromobenzoyl)pyrrolidin-2-yl]-phenylmethanone
CID 110357641
[1-[1-[(2-fluorophenyl)methyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]-phenylmethanone
CID 110607627
[(2S)-1-[(2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl]pyrrolidin-2-yl]-phenylmethanone;hydrochloride
CID 45263190
[1-(3-bromobenzoyl)pyrrolidin-2-yl]-phenylmethanone
CID 110357642
benzyl 2-benzoylpyrrolidine-1-carboxylate
CID 110357682
[1-(3-methylbenzoyl)pyrrolidin-2-yl]-phenylmethanone
CID 110357636
(2R)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
CID 28820041
(2R)-1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 106892375

Frequently Asked Questions

What is the IUPAC name of (2-benzoylpyrrolidin-1-yl)-cyclobutylmethanone?
The IUPAC name of (2-benzoylpyrrolidin-1-yl)-cyclobutylmethanone (CID 110394860) is (2-benzoylpyrrolidin-1-yl)-cyclobutylmethanone.
What is the SMILES notation for (2-benzoylpyrrolidin-1-yl)-cyclobutylmethanone?
The canonical SMILES for (2-benzoylpyrrolidin-1-yl)-cyclobutylmethanone is O=C(c1ccccc1)C1CCCN1C(=O)C1CCC1.
What is the InChIKey of (2-benzoylpyrrolidin-1-yl)-cyclobutylmethanone?
The InChIKey is ZKKPHIWGVRNPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c18-15(12-6-2-1-3-7-12)14-10-5-11-17(14)16(19)13-8-4-9-13/h1-3,6-7,13-14H,4-5,8-11H2.
What are the key properties of (2-benzoylpyrrolidin-1-yl)-cyclobutylmethanone?
(2-benzoylpyrrolidin-1-yl)-cyclobutylmethanone has a molecular weight of 257.33 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzoylpyrrolidin-1-yl)-cyclobutylmethanone is sourced from PubChem (CID 110394860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).