methyl 5-(2-benzyl-4-phenyl-2,5-dihydropyrrol-1-yl)pentanoate

C23H27NO2 — CID 10937007

IUPACmethyl 5-(2-benzyl-4-phenyl-2,5-dihydropyrrol-1-yl)pentanoate
SMILESCOC(=O)CCCCN1CC(c2ccccc2)=CC1Cc1ccccc1
InChIInChI=1S/C23H27NO2/c1-26-23(25)14-8-9-15-24-18-21(20-12-6-3-7-13-20)17-22(24)16-19-10-4-2-5-11-19/h2-7,10-13,17,22H,8-9,14-16,18H2,1H3
InChIKeyHYBVOPQYVCUEOY-UHFFFAOYSA-N
MW349.47 g/mol
LogP4.34
Rot. Bonds8

About methyl 5-(2-benzyl-4-phenyl-2,5-dihydropyrrol-1-yl)pentanoate

methyl 5-(2-benzyl-4-phenyl-2,5-dihydropyrrol-1-yl)pentanoate (PubChem CID 10937007) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is methyl 5-(2-benzyl-4-phenyl-2,5-dihydropyrrol-1-yl)pentanoate.

Molecular Properties

Compound Namemethyl 5-(2-benzyl-4-phenyl-2,5-dihydropyrrol-1-yl)pentanoate
PubChem CID10937007
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC Namemethyl 5-(2-benzyl-4-phenyl-2,5-dihydropyrrol-1-yl)pentanoate
SMILESCOC(=O)CCCCN1CC(c2ccccc2)=CC1Cc1ccccc1
InChIInChI=1S/C23H27NO2/c1-26-23(25)14-8-9-15-24-18-21(20-12-6-3-7-13-20)17-22(24)16-19-10-4-2-5-11-19/h2-7,10-13,17,22H,8-9,14-16,18H2,1H3
InChIKeyHYBVOPQYVCUEOY-UHFFFAOYSA-N
XLogP4.34
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 5-(2-benzyl-4-phenyl-2,5-dihydropyrrol-1-yl)pentanoate 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

methyl 3-(4-benzylpiperidin-1-yl)propanoate
CID 43091070
1,1'-biphenyl;methyl tetradecanoate
CID 175273282
methyl 5-[4,5-diphenyl-1-(2-phenylethyl)pyrrol-2-yl]pentanoate
CID 102098915
methyl 4-(4-methyl-2-phenylpiperazin-1-yl)butanoate
CID 43377701
(5-methoxy-5-oxopentyl)-triphenylphosphanium
CID 3630851
methyl 8-phenylmethoxyoctanoate
CID 562206
1-O-methyl 5-O-tribenzylstannyl pentanedioate
CID 16689325
(15-methoxy-15-oxopentadecyl)-triphenylphosphanium
CID 10508386
methyl 11-(4-phenylbutylamino)undecanoate
CID 167433431
methyl 4-[(2R)-2-benzylpiperidin-1-yl]-4-oxobutanoate
CID 95310445
8-(6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylmethoxyoctanamide
CID 86591426
methyl 3-[4-(4-phenylphenyl)phenyl]propanoate
CID 69206363

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-benzyl-4-phenyl-2,5-dihydropyrrol-1-yl)pentanoate?
The IUPAC name of methyl 5-(2-benzyl-4-phenyl-2,5-dihydropyrrol-1-yl)pentanoate (CID 10937007) is methyl 5-(2-benzyl-4-phenyl-2,5-dihydropyrrol-1-yl)pentanoate.
What is the SMILES notation for methyl 5-(2-benzyl-4-phenyl-2,5-dihydropyrrol-1-yl)pentanoate?
The canonical SMILES for methyl 5-(2-benzyl-4-phenyl-2,5-dihydropyrrol-1-yl)pentanoate is COC(=O)CCCCN1CC(c2ccccc2)=CC1Cc1ccccc1.
What is the InChIKey of methyl 5-(2-benzyl-4-phenyl-2,5-dihydropyrrol-1-yl)pentanoate?
The InChIKey is HYBVOPQYVCUEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO2/c1-26-23(25)14-8-9-15-24-18-21(20-12-6-3-7-13-20)17-22(24)16-19-10-4-2-5-11-19/h2-7,10-13,17,22H,8-9,14-16,18H2,1H3.
What are the key properties of methyl 5-(2-benzyl-4-phenyl-2,5-dihydropyrrol-1-yl)pentanoate?
methyl 5-(2-benzyl-4-phenyl-2,5-dihydropyrrol-1-yl)pentanoate has a molecular weight of 349.47 g/mol, XLogP of 4.34, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-benzyl-4-phenyl-2,5-dihydropyrrol-1-yl)pentanoate is sourced from PubChem (CID 10937007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).