2-methyl-3H-pyrrole

C5H7N — CID 22094043

IUPAC2-methyl-3H-pyrrole
SMILESCC1=NC=CC1
InChIInChI=1S/C5H7N/c1-5-3-2-4-6-5/h2,4H,3H2,1H3
InChIKeyVGFWPVZAUFUHDD-UHFFFAOYSA-N
MW81.12 g/mol
LogP0.20
Rot. Bonds

About 2-methyl-3H-pyrrole

2-methyl-3H-pyrrole (PubChem CID 22094043) has the molecular formula C5H7N and a molecular weight of 81.12 g/mol. Its IUPAC name is 2-methyl-3H-pyrrole.

Molecular Properties

Compound Name2-methyl-3H-pyrrole
PubChem CID22094043
Molecular FormulaC5H7N
Molecular Weight81.12 g/mol
Exact Mass81.06
IUPAC Name2-methyl-3H-pyrrole
SMILESCC1=NC=CC1
InChIInChI=1S/C5H7N/c1-5-3-2-4-6-5/h2,4H,3H2,1H3
InChIKeyVGFWPVZAUFUHDD-UHFFFAOYSA-N
XLogP0.20
TPSA12.40 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity101

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50081.12
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3H-pyrrole?
The IUPAC name of 2-methyl-3H-pyrrole (CID 22094043) is 2-methyl-3H-pyrrole.
What is the SMILES notation for 2-methyl-3H-pyrrole?
The canonical SMILES for 2-methyl-3H-pyrrole is CC1=NC=CC1.
What is the InChIKey of 2-methyl-3H-pyrrole?
The InChIKey is VGFWPVZAUFUHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2,4H,3H2,1H3.
What are the key properties of 2-methyl-3H-pyrrole?
2-methyl-3H-pyrrole has a molecular weight of 81.12 g/mol, XLogP of 0.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3H-pyrrole is sourced from PubChem (CID 22094043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).