1-methylpyrrole

C5H7N — CID 7304

IUPAC1-methylpyrrole
SMILESCn1cccc1
InChIInChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3
InChIKeyOXHNLMTVIGZXSG-UHFFFAOYSA-N
MW81.12 g/mol
LogP1.03
Rot. Bonds

About 1-methylpyrrole

1-methylpyrrole (PubChem CID 7304) has the molecular formula C5H7N and a molecular weight of 81.12 g/mol. Its IUPAC name is 1-methylpyrrole.

Molecular Properties

Compound Name1-methylpyrrole
PubChem CID7304
Molecular FormulaC5H7N
Molecular Weight81.12 g/mol
Exact Mass81.06
IUPAC Name1-methylpyrrole
SMILESCn1cccc1
InChIInChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3
InChIKeyOXHNLMTVIGZXSG-UHFFFAOYSA-N
XLogP1.03
TPSA4.93 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 ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methylpyrrole?
The IUPAC name of 1-methylpyrrole (CID 7304) is 1-methylpyrrole.
What is the SMILES notation for 1-methylpyrrole?
The canonical SMILES for 1-methylpyrrole is Cn1cccc1.
What is the InChIKey of 1-methylpyrrole?
The InChIKey is OXHNLMTVIGZXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3.
What are the key properties of 1-methylpyrrole?
1-methylpyrrole has a molecular weight of 81.12 g/mol, XLogP of 1.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrrole is sourced from PubChem (CID 7304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).