pyrrol-1-yl N-methylcarbamate

C6H8N2O2 — CID 175542135

IUPACpyrrol-1-yl N-methylcarbamate
SMILESCNC(=O)On1cccc1
InChIInChI=1S/C6H8N2O2/c1-7-6(9)10-8-4-2-3-5-8/h2-5H,1H3,(H,7,9)
InChIKeyGXRRHGAUXXWJDS-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.26
Rot. Bonds1

About pyrrol-1-yl N-methylcarbamate

pyrrol-1-yl N-methylcarbamate (PubChem CID 175542135) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is pyrrol-1-yl N-methylcarbamate.

Molecular Properties

Compound Namepyrrol-1-yl N-methylcarbamate
PubChem CID175542135
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Namepyrrol-1-yl N-methylcarbamate
SMILESCNC(=O)On1cccc1
InChIInChI=1S/C6H8N2O2/c1-7-6(9)10-8-4-2-3-5-8/h2-5H,1H3,(H,7,9)
InChIKeyGXRRHGAUXXWJDS-UHFFFAOYSA-N
XLogP0.26
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrrol-1-yl N-methylcarbamate?
The IUPAC name of pyrrol-1-yl N-methylcarbamate (CID 175542135) is pyrrol-1-yl N-methylcarbamate.
What is the SMILES notation for pyrrol-1-yl N-methylcarbamate?
The canonical SMILES for pyrrol-1-yl N-methylcarbamate is CNC(=O)On1cccc1.
What is the InChIKey of pyrrol-1-yl N-methylcarbamate?
The InChIKey is GXRRHGAUXXWJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-7-6(9)10-8-4-2-3-5-8/h2-5H,1H3,(H,7,9).
What are the key properties of pyrrol-1-yl N-methylcarbamate?
pyrrol-1-yl N-methylcarbamate has a molecular weight of 140.14 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrol-1-yl N-methylcarbamate is sourced from PubChem (CID 175542135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).