(4-propan-2-ylphenyl)-pyrrolidin-3-ylmethanone

C14H19NO — CID 83689928

IUPAC(4-propan-2-ylphenyl)-pyrrolidin-3-ylmethanone
SMILESCC(C)c1ccc(C(=O)C2CCNC2)cc1
InChIInChI=1S/C14H19NO/c1-10(2)11-3-5-12(6-4-11)14(16)13-7-8-15-9-13/h3-6,10,13,15H,7-9H2,1-2H3
InChIKeyDAKCNIVAPTZZRG-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.60
Rot. Bonds3

About (4-propan-2-ylphenyl)-pyrrolidin-3-ylmethanone

(4-propan-2-ylphenyl)-pyrrolidin-3-ylmethanone (PubChem CID 83689928) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (4-propan-2-ylphenyl)-pyrrolidin-3-ylmethanone.

Molecular Properties

Compound Name(4-propan-2-ylphenyl)-pyrrolidin-3-ylmethanone
PubChem CID83689928
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(4-propan-2-ylphenyl)-pyrrolidin-3-ylmethanone
SMILESCC(C)c1ccc(C(=O)C2CCNC2)cc1
InChIInChI=1S/C14H19NO/c1-10(2)11-3-5-12(6-4-11)14(16)13-7-8-15-9-13/h3-6,10,13,15H,7-9H2,1-2H3
InChIKeyDAKCNIVAPTZZRG-UHFFFAOYSA-N
XLogP2.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-propan-2-ylphenyl)-pyrrolidin-3-ylmethanone 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

phenyl-[(3R)-pyrrolidin-3-yl]methanone
CID 86327261
methyl 4-[(3R)-pyrrolidine-3-carbonyl]benzoate
CID 99934590
pyridin-4-yl(pyrrolidin-3-yl)methanone;dihydrochloride
CID 91623851
oxan-4-yl-(4-propan-2-ylphenyl)methanone
CID 62905290
N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide
CID 43707174
(3-propan-2-yloxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568364
(3-fluoro-4-methylphenyl)-pyrrolidin-3-ylmethanone
CID 107129727
3-piperidin-4-yl-1-(4-propan-2-ylphenyl)propan-1-one
CID 116563485
N-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119337319
(4-hydroxyphenyl)-piperidin-4-ylmethanone;hydrochloride
CID 13180305
furan-3-yl(pyrrolidin-3-yl)methanone
CID 116568441
(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-(4-propan-2-ylphenyl)methanone
CID 171947850

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylphenyl)-pyrrolidin-3-ylmethanone?
The IUPAC name of (4-propan-2-ylphenyl)-pyrrolidin-3-ylmethanone (CID 83689928) is (4-propan-2-ylphenyl)-pyrrolidin-3-ylmethanone.
What is the SMILES notation for (4-propan-2-ylphenyl)-pyrrolidin-3-ylmethanone?
The canonical SMILES for (4-propan-2-ylphenyl)-pyrrolidin-3-ylmethanone is CC(C)c1ccc(C(=O)C2CCNC2)cc1.
What is the InChIKey of (4-propan-2-ylphenyl)-pyrrolidin-3-ylmethanone?
The InChIKey is DAKCNIVAPTZZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-10(2)11-3-5-12(6-4-11)14(16)13-7-8-15-9-13/h3-6,10,13,15H,7-9H2,1-2H3.
What are the key properties of (4-propan-2-ylphenyl)-pyrrolidin-3-ylmethanone?
(4-propan-2-ylphenyl)-pyrrolidin-3-ylmethanone has a molecular weight of 217.31 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylphenyl)-pyrrolidin-3-ylmethanone is sourced from PubChem (CID 83689928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).