methyl N-(4-pyrrol-1-ylphenyl)carbamate

C12H12N2O2 — CID 110726346

IUPACmethyl N-(4-pyrrol-1-ylphenyl)carbamate
SMILESCOC(=O)Nc1ccc(-n2cccc2)cc1
InChIInChI=1S/C12H12N2O2/c1-16-12(15)13-10-4-6-11(7-5-10)14-8-2-3-9-14/h2-9H,1H3,(H,13,15)
InChIKeyOLWHSPHAGWMJDV-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.66
Rot. Bonds2

About methyl N-(4-pyrrol-1-ylphenyl)carbamate

methyl N-(4-pyrrol-1-ylphenyl)carbamate (PubChem CID 110726346) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is methyl N-(4-pyrrol-1-ylphenyl)carbamate.

Molecular Properties

Compound Namemethyl N-(4-pyrrol-1-ylphenyl)carbamate
PubChem CID110726346
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Namemethyl N-(4-pyrrol-1-ylphenyl)carbamate
SMILESCOC(=O)Nc1ccc(-n2cccc2)cc1
InChIInChI=1S/C12H12N2O2/c1-16-12(15)13-10-4-6-11(7-5-10)14-8-2-3-9-14/h2-9H,1H3,(H,13,15)
InChIKeyOLWHSPHAGWMJDV-UHFFFAOYSA-N
XLogP2.66
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl N-(4-pyrrol-1-ylphenyl)carbamate 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

(E)-N-(4-pyrrol-1-ylphenyl)but-2-enamide
CID 110470241
3-methyl-N-(4-pyrrol-1-ylphenyl)butanamide
CID 110726327
4-oxo-4-(4-pyrrol-1-ylanilino)butanoic acid
CID 110471076
N-(4-hydroxyphenyl)-4-pyrrol-1-ylbenzamide
CID 39337548
methyl N-(4-sulfanylphenyl)carbamate
CID 603048
1,1-bis(2-methylpropyl)-3-(4-pyrrol-1-ylphenyl)urea
CID 108886840
2-cyano-N-(4-pyrrol-1-ylphenyl)acetamide
CID 110470122
methyl N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]carbamate
CID 112985812
4-fluoro-N-(4-pyrrol-1-ylphenyl)benzamide
CID 2768248
CID 68594224
CID 68594224
N-(4-methoxyphenyl)-4-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]benzamide
CID 31910662
methyl N-[4-(4-piperidin-1-ylanilino)phenyl]carbamate
CID 112988794

Frequently Asked Questions

What is the IUPAC name of methyl N-(4-pyrrol-1-ylphenyl)carbamate?
The IUPAC name of methyl N-(4-pyrrol-1-ylphenyl)carbamate (CID 110726346) is methyl N-(4-pyrrol-1-ylphenyl)carbamate.
What is the SMILES notation for methyl N-(4-pyrrol-1-ylphenyl)carbamate?
The canonical SMILES for methyl N-(4-pyrrol-1-ylphenyl)carbamate is COC(=O)Nc1ccc(-n2cccc2)cc1.
What is the InChIKey of methyl N-(4-pyrrol-1-ylphenyl)carbamate?
The InChIKey is OLWHSPHAGWMJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-16-12(15)13-10-4-6-11(7-5-10)14-8-2-3-9-14/h2-9H,1H3,(H,13,15).
What are the key properties of methyl N-(4-pyrrol-1-ylphenyl)carbamate?
methyl N-(4-pyrrol-1-ylphenyl)carbamate has a molecular weight of 216.24 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-pyrrol-1-ylphenyl)carbamate is sourced from PubChem (CID 110726346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).