1-methyl-5-methylidene-2H-pyrrole

C6H9N — CID 20756101

IUPAC1-methyl-5-methylidene-2H-pyrrole
SMILESC=C1C=CCN1C
InChIInChI=1S/C6H9N/c1-6-4-3-5-7(6)2/h3-4H,1,5H2,2H3
InChIKeyPCLWUWPOPZLANB-UHFFFAOYSA-N
MW95.14 g/mol
LogP1.00
Rot. Bonds

About 1-methyl-5-methylidene-2H-pyrrole

1-methyl-5-methylidene-2H-pyrrole (PubChem CID 20756101) has the molecular formula C6H9N and a molecular weight of 95.14 g/mol. Its IUPAC name is 1-methyl-5-methylidene-2H-pyrrole.

Molecular Properties

Compound Name1-methyl-5-methylidene-2H-pyrrole
PubChem CID20756101
Molecular FormulaC6H9N
Molecular Weight95.14 g/mol
Exact Mass95.07
IUPAC Name1-methyl-5-methylidene-2H-pyrrole
SMILESC=C1C=CCN1C
InChIInChI=1S/C6H9N/c1-6-4-3-5-7(6)2/h3-4H,1,5H2,2H3
InChIKeyPCLWUWPOPZLANB-UHFFFAOYSA-N
XLogP1.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.14
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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CID 129801372
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-methylidene-2H-pyrrole?
The IUPAC name of 1-methyl-5-methylidene-2H-pyrrole (CID 20756101) is 1-methyl-5-methylidene-2H-pyrrole.
What is the SMILES notation for 1-methyl-5-methylidene-2H-pyrrole?
The canonical SMILES for 1-methyl-5-methylidene-2H-pyrrole is C=C1C=CCN1C.
What is the InChIKey of 1-methyl-5-methylidene-2H-pyrrole?
The InChIKey is PCLWUWPOPZLANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N/c1-6-4-3-5-7(6)2/h3-4H,1,5H2,2H3.
What are the key properties of 1-methyl-5-methylidene-2H-pyrrole?
1-methyl-5-methylidene-2H-pyrrole has a molecular weight of 95.14 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-methylidene-2H-pyrrole is sourced from PubChem (CID 20756101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).