3-methyl-3H-pyrrole

C5H7N — CID 10953038

IUPAC3-methyl-3H-pyrrole
SMILESCC1C=CN=C1
InChIInChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-5H,1H3
InChIKeyCVZOYWIGNXVHMM-UHFFFAOYSA-N
MW81.12 g/mol
LogP1.22
Rot. Bonds

About 3-methyl-3H-pyrrole

3-methyl-3H-pyrrole (PubChem CID 10953038) has the molecular formula C5H7N and a molecular weight of 81.12 g/mol. Its IUPAC name is 3-methyl-3H-pyrrole.

Molecular Properties

Compound Name3-methyl-3H-pyrrole
PubChem CID10953038
Molecular FormulaC5H7N
Molecular Weight81.12 g/mol
Exact Mass81.06
IUPAC Name3-methyl-3H-pyrrole
SMILESCC1C=CN=C1
InChIInChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-5H,1H3
InChIKeyCVZOYWIGNXVHMM-UHFFFAOYSA-N
XLogP1.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50081.12
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3H-pyrrole?
The IUPAC name of 3-methyl-3H-pyrrole (CID 10953038) is 3-methyl-3H-pyrrole.
What is the SMILES notation for 3-methyl-3H-pyrrole?
The canonical SMILES for 3-methyl-3H-pyrrole is CC1C=CN=C1.
What is the InChIKey of 3-methyl-3H-pyrrole?
The InChIKey is CVZOYWIGNXVHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-5H,1H3.
What are the key properties of 3-methyl-3H-pyrrole?
3-methyl-3H-pyrrole has a molecular weight of 81.12 g/mol, XLogP of 1.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3H-pyrrole is sourced from PubChem (CID 10953038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).