ethyl 1-[5-oxo-1-(1-phenylethyl)-2H-pyrrol-3-yl]cyclopropane-1-carboxylate

C18H21NO3 — CID 22100570

IUPACethyl 1-[5-oxo-1-(1-phenylethyl)-2H-pyrrol-3-yl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(C2=CC(=O)N(C(C)c3ccccc3)C2)CC1
InChIInChI=1S/C18H21NO3/c1-3-22-17(21)18(9-10-18)15-11-16(20)19(12-15)13(2)14-7-5-4-6-8-14/h4-8,11,13H,3,9-10,12H2,1-2H3
InChIKeyKZRJZSBWDWKDLA-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.86
Rot. Bonds5

About ethyl 1-[5-oxo-1-(1-phenylethyl)-2H-pyrrol-3-yl]cyclopropane-1-carboxylate

ethyl 1-[5-oxo-1-(1-phenylethyl)-2H-pyrrol-3-yl]cyclopropane-1-carboxylate (PubChem CID 22100570) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is ethyl 1-[5-oxo-1-(1-phenylethyl)-2H-pyrrol-3-yl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[5-oxo-1-(1-phenylethyl)-2H-pyrrol-3-yl]cyclopropane-1-carboxylate
PubChem CID22100570
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Nameethyl 1-[5-oxo-1-(1-phenylethyl)-2H-pyrrol-3-yl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(C2=CC(=O)N(C(C)c3ccccc3)C2)CC1
InChIInChI=1S/C18H21NO3/c1-3-22-17(21)18(9-10-18)15-11-16(20)19(12-15)13(2)14-7-5-4-6-8-14/h4-8,11,13H,3,9-10,12H2,1-2H3
InChIKeyKZRJZSBWDWKDLA-UHFFFAOYSA-N
XLogP2.86
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 1-[5-oxo-1-(1-phenylethyl)-2H-pyrrol-3-yl]cyclopropane-1-carboxylate 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

ethyl 1-[5-oxo-1-(1-phenylethyl)-2H-pyrrol-3-yl]cyclobutane-1-carboxylate
CID 21260994
ethyl 1-[(3S,4S)-4-fluoro-5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]cyclopropane-1-carboxylate
CID 174422513
ethyl 1-[5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]cyclobutane-1-carboxylate
CID 54531199
3-(1-aminoethyl)-1-(1-phenylethyl)-2H-pyrrol-5-one
CID 123767911
ethyl (3R)-1,3-dihydroxy-2-[(1S)-1-phenylethyl]-2-azabicyclo[2.2.2]octane-3-carboxylate
CID 69018663
ethyl 4-hydroxy-5-oxo-1-[(1R)-1-phenylethyl]-2H-pyrrole-3-carboxylate
CID 54737685
ethyl 1-amino-4-phenylpiperidine-4-carboxylate;hydrochloride
CID 86193109
ethyl 1-[2-(dimethylamino)-2-phenylethyl]-4-phenylpiperidine-4-carboxylate
CID 26013
ethyl (4aS)-2-oxo-1-[(1S)-1-phenylethyl]-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridine-4a-carboxylate
CID 178162192
3-benzylsulfanyl-1-[(1S)-1-phenylethyl]-2H-pyrrol-5-one
CID 101087870
ethyl (2S)-2-methyl-5-oxo-1-[(1R)-1-phenylethyl]piperidine-4-carboxylate
CID 91054590
ethyl (1R,6S,7R)-6-hydroxy-9-[(1S)-1-phenylethyl]-9-azatricyclo[5.3.3.01,6]tridec-3-ene-7-carboxylate
CID 102351359

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[5-oxo-1-(1-phenylethyl)-2H-pyrrol-3-yl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-[5-oxo-1-(1-phenylethyl)-2H-pyrrol-3-yl]cyclopropane-1-carboxylate (CID 22100570) is ethyl 1-[5-oxo-1-(1-phenylethyl)-2H-pyrrol-3-yl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-[5-oxo-1-(1-phenylethyl)-2H-pyrrol-3-yl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-[5-oxo-1-(1-phenylethyl)-2H-pyrrol-3-yl]cyclopropane-1-carboxylate is CCOC(=O)C1(C2=CC(=O)N(C(C)c3ccccc3)C2)CC1.
What is the InChIKey of ethyl 1-[5-oxo-1-(1-phenylethyl)-2H-pyrrol-3-yl]cyclopropane-1-carboxylate?
The InChIKey is KZRJZSBWDWKDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-3-22-17(21)18(9-10-18)15-11-16(20)19(12-15)13(2)14-7-5-4-6-8-14/h4-8,11,13H,3,9-10,12H2,1-2H3.
What are the key properties of ethyl 1-[5-oxo-1-(1-phenylethyl)-2H-pyrrol-3-yl]cyclopropane-1-carboxylate?
ethyl 1-[5-oxo-1-(1-phenylethyl)-2H-pyrrol-3-yl]cyclopropane-1-carboxylate has a molecular weight of 299.37 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[5-oxo-1-(1-phenylethyl)-2H-pyrrol-3-yl]cyclopropane-1-carboxylate is sourced from PubChem (CID 22100570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).