phenyl(pyrrolidin-1-yl)methanone

C11H13NO — CID 966800

IUPACphenyl(pyrrolidin-1-yl)methanone
SMILESO=C(c1ccccc1)N1CCCC1
InChIInChI=1S/C11H13NO/c13-11(12-8-4-5-9-12)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
InChIKeyVIQDUCBDZPYNNX-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.92
Rot. Bonds1

About phenyl(pyrrolidin-1-yl)methanone

phenyl(pyrrolidin-1-yl)methanone (PubChem CID 966800) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is phenyl(pyrrolidin-1-yl)methanone.

Molecular Properties

Compound Namephenyl(pyrrolidin-1-yl)methanone
PubChem CID966800
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Namephenyl(pyrrolidin-1-yl)methanone
SMILESO=C(c1ccccc1)N1CCCC1
InChIInChI=1S/C11H13NO/c13-11(12-8-4-5-9-12)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
InChIKeyVIQDUCBDZPYNNX-UHFFFAOYSA-N
XLogP1.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze phenyl(pyrrolidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-m-toluamide
CID 4284
N-Methylphthalimide
CID 11074
N-Methylbenzamide
CID 11954
N,N-Diethylbenzamide
CID 15542
2-Methyl-N,N-diethylbenzamide
CID 75945
Phthalimidine
CID 10199
Amylase
CID 71475145
1-(4-Benzoyl-1-piperazinyl)-1-propanone
CID 4223812
Benzoylpiperidine
CID 69892
2-Butyl-2,3-dihydrobenzisothiazol-3-one
CID 9837171
Isopropylphthalimide
CID 67535
N-Propylbenzamide
CID 25354

Frequently Asked Questions

What is the IUPAC name of phenyl(pyrrolidin-1-yl)methanone?
The IUPAC name of phenyl(pyrrolidin-1-yl)methanone (CID 966800) is phenyl(pyrrolidin-1-yl)methanone.
What is the SMILES notation for phenyl(pyrrolidin-1-yl)methanone?
The canonical SMILES for phenyl(pyrrolidin-1-yl)methanone is O=C(c1ccccc1)N1CCCC1.
What is the InChIKey of phenyl(pyrrolidin-1-yl)methanone?
The InChIKey is VIQDUCBDZPYNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c13-11(12-8-4-5-9-12)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2.
What are the key properties of phenyl(pyrrolidin-1-yl)methanone?
phenyl(pyrrolidin-1-yl)methanone has a molecular weight of 175.23 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(pyrrolidin-1-yl)methanone is sourced from PubChem (CID 966800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).