Pyrrol-1-yl N-methylcarbamate

C₆H₈N₂O₂ — CID 175542135

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 Name: Pyrrol-1-yl N-methylcarbamate
• PubChem CID: 175542135
• Molecular Formula: C₆H₈N₂O₂
• Molecular Weight: 140.14 g/mol
• Exact Mass: 140.06
• IUPAC Name: pyrrol-1-yl N-methylcarbamate
• SMILES: CNC(=O)On1cccc1
• InChI: InChI=1S/C6H8N2O2/c1-7-6(9)10-8-4-2-3-5-8/h2-5H,1H3,(H,7,9)
• InChIKey: GXRRHGAUXXWJDS-UHFFFAOYSA-N
• XLogP: 0.26
• TPSA: 43.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	140.14
LogP ≤ 5	0.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

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).

Sources

• PubChem CID 175542135 — identifiers, structure, computed properties (public domain)

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