4-methyl-3H-pyrrole

C5H7N — CID 21136130

IUPAC4-methyl-3H-pyrrole
SMILESCC1=CN=CC1
InChIInChI=1S/C5H7N/c1-5-2-3-6-4-5/h3-4H,2H2,1H3
InChIKeyCJUZSHFESXBSRT-UHFFFAOYSA-N
MW81.12 g/mol
LogP1.36
Rot. Bonds

About 4-methyl-3H-pyrrole

4-methyl-3H-pyrrole (PubChem CID 21136130) has the molecular formula C5H7N and a molecular weight of 81.12 g/mol. Its IUPAC name is 4-methyl-3H-pyrrole.

Molecular Properties

Compound Name4-methyl-3H-pyrrole
PubChem CID21136130
Molecular FormulaC5H7N
Molecular Weight81.12 g/mol
Exact Mass81.06
IUPAC Name4-methyl-3H-pyrrole
SMILESCC1=CN=CC1
InChIInChI=1S/C5H7N/c1-5-2-3-6-4-5/h3-4H,2H2,1H3
InChIKeyCJUZSHFESXBSRT-UHFFFAOYSA-N
XLogP1.36
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 ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3,3-Difluoro-4-methylpyrrole
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1,4-dimethyl-3H-pyrrol-1-ium
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4-propan-2-yl-3H-pyrrole
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4-ethyl-3H-pyrrole
CID 21341367

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3H-pyrrole?
The IUPAC name of 4-methyl-3H-pyrrole (CID 21136130) is 4-methyl-3H-pyrrole.
What is the SMILES notation for 4-methyl-3H-pyrrole?
The canonical SMILES for 4-methyl-3H-pyrrole is CC1=CN=CC1.
What is the InChIKey of 4-methyl-3H-pyrrole?
The InChIKey is CJUZSHFESXBSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N/c1-5-2-3-6-4-5/h3-4H,2H2,1H3.
What are the key properties of 4-methyl-3H-pyrrole?
4-methyl-3H-pyrrole has a molecular weight of 81.12 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3H-pyrrole is sourced from PubChem (CID 21136130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).