3-(furan-3-yl)-1-(2-phenacylpyrrolidin-1-yl)propan-1-one

C19H21NO3 — CID 136513747

IUPAC3-(furan-3-yl)-1-(2-phenacylpyrrolidin-1-yl)propan-1-one
SMILESO=C(CC1CCCN1C(=O)CCc1ccoc1)c1ccccc1
InChIInChI=1S/C19H21NO3/c21-18(16-5-2-1-3-6-16)13-17-7-4-11-20(17)19(22)9-8-15-10-12-23-14-15/h1-3,5-6,10,12,14,17H,4,7-9,11,13H2
InChIKeyJNQPFQLFCZSMIR-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.48
Rot. Bonds6

About 3-(furan-3-yl)-1-(2-phenacylpyrrolidin-1-yl)propan-1-one

3-(furan-3-yl)-1-(2-phenacylpyrrolidin-1-yl)propan-1-one (PubChem CID 136513747) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 3-(furan-3-yl)-1-(2-phenacylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(furan-3-yl)-1-(2-phenacylpyrrolidin-1-yl)propan-1-one
PubChem CID136513747
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name3-(furan-3-yl)-1-(2-phenacylpyrrolidin-1-yl)propan-1-one
SMILESO=C(CC1CCCN1C(=O)CCc1ccoc1)c1ccccc1
InChIInChI=1S/C19H21NO3/c21-18(16-5-2-1-3-6-16)13-17-7-4-11-20(17)19(22)9-8-15-10-12-23-14-15/h1-3,5-6,10,12,14,17H,4,7-9,11,13H2
InChIKeyJNQPFQLFCZSMIR-UHFFFAOYSA-N
XLogP3.48
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(furan-3-yl)-1-(2-phenacylpyrrolidin-1-yl)propan-1-one 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

2-[(2S)-1-[3-(furan-3-yl)propanoyl]pyrrolidin-2-yl]acetic acid
CID 129468857
benzyl (2S)-2-phenacylpyrrolidine-1-carboxylate
CID 164675638
2-[1-[2-(3-hydroxyphenyl)acetyl]pyrrolidin-2-yl]-1-phenylethanone
CID 86785890
N-(2-acetamidoethyl)-4-oxo-4-(2-phenacylpyrrolidin-1-yl)butanamide
CID 136513745
2-[1-(4-acetylbenzoyl)pyrrolidin-2-yl]-1-phenylethanone
CID 75425281
1-[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 94799202
2-[(2S)-1-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptane-2-carbonyl]pyrrolidin-2-yl]-1-phenylethanone
CID 129424810
1-[2-(3-chloropropyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 63395803
2-[3-[(2S)-2-phenacylpyrrolidine-1-carbonyl]phenyl]acetonitrile
CID 97041772
2-(1-benzylpyrrolidin-2-yl)-1-phenylethanone
CID 122375252
1-phenyl-2-[(2S)-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]ethanone
CID 97041732
3-(4-fluorophenyl)-1-[(2R)-2-[2-(1-methylpyrazol-4-yl)-2-oxoethyl]pyrrolidin-1-yl]propan-1-one
CID 124592360

Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-yl)-1-(2-phenacylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 3-(furan-3-yl)-1-(2-phenacylpyrrolidin-1-yl)propan-1-one (CID 136513747) is 3-(furan-3-yl)-1-(2-phenacylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(furan-3-yl)-1-(2-phenacylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 3-(furan-3-yl)-1-(2-phenacylpyrrolidin-1-yl)propan-1-one is O=C(CC1CCCN1C(=O)CCc1ccoc1)c1ccccc1.
What is the InChIKey of 3-(furan-3-yl)-1-(2-phenacylpyrrolidin-1-yl)propan-1-one?
The InChIKey is JNQPFQLFCZSMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c21-18(16-5-2-1-3-6-16)13-17-7-4-11-20(17)19(22)9-8-15-10-12-23-14-15/h1-3,5-6,10,12,14,17H,4,7-9,11,13H2.
What are the key properties of 3-(furan-3-yl)-1-(2-phenacylpyrrolidin-1-yl)propan-1-one?
3-(furan-3-yl)-1-(2-phenacylpyrrolidin-1-yl)propan-1-one has a molecular weight of 311.38 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-yl)-1-(2-phenacylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 136513747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).