ethyl 2-[2-(5-oxo-5-phenylpentyl)-3,4-dihydro-2H-pyrrol-5-yl]acetate

C19H25NO3 — CID 135031561

IUPACethyl 2-[2-(5-oxo-5-phenylpentyl)-3,4-dihydro-2H-pyrrol-5-yl]acetate
SMILESCCOC(=O)CC1=NC(CCCCC(=O)c2ccccc2)CC1
InChIInChI=1S/C19H25NO3/c1-2-23-19(22)14-17-13-12-16(20-17)10-6-7-11-18(21)15-8-4-3-5-9-15/h3-5,8-9,16H,2,6-7,10-14H2,1H3
InChIKeyBNSROPKHZPMZJI-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.99
Rot. Bonds9

About ethyl 2-[2-(5-oxo-5-phenylpentyl)-3,4-dihydro-2H-pyrrol-5-yl]acetate

ethyl 2-[2-(5-oxo-5-phenylpentyl)-3,4-dihydro-2H-pyrrol-5-yl]acetate (PubChem CID 135031561) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is ethyl 2-[2-(5-oxo-5-phenylpentyl)-3,4-dihydro-2H-pyrrol-5-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(5-oxo-5-phenylpentyl)-3,4-dihydro-2H-pyrrol-5-yl]acetate
PubChem CID135031561
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Nameethyl 2-[2-(5-oxo-5-phenylpentyl)-3,4-dihydro-2H-pyrrol-5-yl]acetate
SMILESCCOC(=O)CC1=NC(CCCCC(=O)c2ccccc2)CC1
InChIInChI=1S/C19H25NO3/c1-2-23-19(22)14-17-13-12-16(20-17)10-6-7-11-18(21)15-8-4-3-5-9-15/h3-5,8-9,16H,2,6-7,10-14H2,1H3
InChIKeyBNSROPKHZPMZJI-UHFFFAOYSA-N
XLogP3.99
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethyl 2-[2-(5-oxo-5-phenylpentyl)-3,4-dihydro-2H-pyrrol-5-yl]acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(5-oxo-5-phenylpentyl)-3,4-dihydro-2H-pyrrol-5-yl]acetate?
The IUPAC name of ethyl 2-[2-(5-oxo-5-phenylpentyl)-3,4-dihydro-2H-pyrrol-5-yl]acetate (CID 135031561) is ethyl 2-[2-(5-oxo-5-phenylpentyl)-3,4-dihydro-2H-pyrrol-5-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(5-oxo-5-phenylpentyl)-3,4-dihydro-2H-pyrrol-5-yl]acetate?
The canonical SMILES for ethyl 2-[2-(5-oxo-5-phenylpentyl)-3,4-dihydro-2H-pyrrol-5-yl]acetate is CCOC(=O)CC1=NC(CCCCC(=O)c2ccccc2)CC1.
What is the InChIKey of ethyl 2-[2-(5-oxo-5-phenylpentyl)-3,4-dihydro-2H-pyrrol-5-yl]acetate?
The InChIKey is BNSROPKHZPMZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-2-23-19(22)14-17-13-12-16(20-17)10-6-7-11-18(21)15-8-4-3-5-9-15/h3-5,8-9,16H,2,6-7,10-14H2,1H3.
What are the key properties of ethyl 2-[2-(5-oxo-5-phenylpentyl)-3,4-dihydro-2H-pyrrol-5-yl]acetate?
ethyl 2-[2-(5-oxo-5-phenylpentyl)-3,4-dihydro-2H-pyrrol-5-yl]acetate has a molecular weight of 315.41 g/mol, XLogP of 3.99, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(5-oxo-5-phenylpentyl)-3,4-dihydro-2H-pyrrol-5-yl]acetate is sourced from PubChem (CID 135031561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).