methyl N-[(1-methylpyrrol-3-yl)methyl]carbamate

C8H12N2O2 — CID 110782519

IUPACmethyl N-[(1-methylpyrrol-3-yl)methyl]carbamate
SMILESCOC(=O)NCc1ccn(C)c1
InChIInChI=1S/C8H12N2O2/c1-10-4-3-7(6-10)5-9-8(11)12-2/h3-4,6H,5H2,1-2H3,(H,9,11)
InChIKeyXPLBGMIJIIDMKM-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.88
Rot. Bonds2

About methyl N-[(1-methylpyrrol-3-yl)methyl]carbamate

methyl N-[(1-methylpyrrol-3-yl)methyl]carbamate (PubChem CID 110782519) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is methyl N-[(1-methylpyrrol-3-yl)methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(1-methylpyrrol-3-yl)methyl]carbamate
PubChem CID110782519
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Namemethyl N-[(1-methylpyrrol-3-yl)methyl]carbamate
SMILESCOC(=O)NCc1ccn(C)c1
InChIInChI=1S/C8H12N2O2/c1-10-4-3-7(6-10)5-9-8(11)12-2/h3-4,6H,5H2,1-2H3,(H,9,11)
InChIKeyXPLBGMIJIIDMKM-UHFFFAOYSA-N
XLogP0.88
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl N-[(1-methylpyrrol-3-yl)methyl]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

Methyl 1H-pyrrole-1-carboxylate
CID 77962
tert-butyl 1H-pyrrole-1-carboxylate
CID 643494
1-Acetyl-3-methylpyrrole
CID 12399782
(1-methyl-1H-pyrrol-3-yl)methanamine
CID 55254375
tert-butyl N-[(1H-pyrrol-3-yl)methyl]carbamate
CID 106385418
(1-ethyl-1H-pyrrol-3-yl)methanamine
CID 66407752
Ethyl pyrrole-1-carboxylate
CID 231211
(1-propyl-1H-pyrrol-3-yl)methanamine
CID 66410379
[(1-ethyl-1H-pyrrol-3-yl)methyl](methyl)amine hydrochloride
CID 75525886
(1-ethyl-1H-pyrrol-3-yl)methanamine hydrochloride
CID 86775372
N-(3-(1H-pyrrol-1-yl)propyl)acetamide
CID 57561805
tert-butyl 3-methyl-1H-pyrrole-1-carboxylate
CID 58101914

Frequently Asked Questions

What is the IUPAC name of methyl N-[(1-methylpyrrol-3-yl)methyl]carbamate?
The IUPAC name of methyl N-[(1-methylpyrrol-3-yl)methyl]carbamate (CID 110782519) is methyl N-[(1-methylpyrrol-3-yl)methyl]carbamate.
What is the SMILES notation for methyl N-[(1-methylpyrrol-3-yl)methyl]carbamate?
The canonical SMILES for methyl N-[(1-methylpyrrol-3-yl)methyl]carbamate is COC(=O)NCc1ccn(C)c1.
What is the InChIKey of methyl N-[(1-methylpyrrol-3-yl)methyl]carbamate?
The InChIKey is XPLBGMIJIIDMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-10-4-3-7(6-10)5-9-8(11)12-2/h3-4,6H,5H2,1-2H3,(H,9,11).
What are the key properties of methyl N-[(1-methylpyrrol-3-yl)methyl]carbamate?
methyl N-[(1-methylpyrrol-3-yl)methyl]carbamate has a molecular weight of 168.20 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(1-methylpyrrol-3-yl)methyl]carbamate is sourced from PubChem (CID 110782519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).