5-methyl-3-methylidene-2,4-dihydropyrrole

C6H9N — CID 59659995

IUPAC5-methyl-3-methylidene-2,4-dihydropyrrole
SMILESC=C1CN=C(C)C1
InChIInChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h1,3-4H2,2H3
InChIKeyJHSMISIPJPWFOE-UHFFFAOYSA-N
MW95.14 g/mol
LogP1.41
Rot. Bonds

About 5-methyl-3-methylidene-2,4-dihydropyrrole

5-methyl-3-methylidene-2,4-dihydropyrrole (PubChem CID 59659995) has the molecular formula C6H9N and a molecular weight of 95.14 g/mol. Its IUPAC name is 5-methyl-3-methylidene-2,4-dihydropyrrole.

Molecular Properties

Compound Name5-methyl-3-methylidene-2,4-dihydropyrrole
PubChem CID59659995
Molecular FormulaC6H9N
Molecular Weight95.14 g/mol
Exact Mass95.07
IUPAC Name5-methyl-3-methylidene-2,4-dihydropyrrole
SMILESC=C1CN=C(C)C1
InChIInChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h1,3-4H2,2H3
InChIKeyJHSMISIPJPWFOE-UHFFFAOYSA-N
XLogP1.41
TPSA12.36 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 ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-methylidene-2,4-dihydropyrrole?
The IUPAC name of 5-methyl-3-methylidene-2,4-dihydropyrrole (CID 59659995) is 5-methyl-3-methylidene-2,4-dihydropyrrole.
What is the SMILES notation for 5-methyl-3-methylidene-2,4-dihydropyrrole?
The canonical SMILES for 5-methyl-3-methylidene-2,4-dihydropyrrole is C=C1CN=C(C)C1.
What is the InChIKey of 5-methyl-3-methylidene-2,4-dihydropyrrole?
The InChIKey is JHSMISIPJPWFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h1,3-4H2,2H3.
What are the key properties of 5-methyl-3-methylidene-2,4-dihydropyrrole?
5-methyl-3-methylidene-2,4-dihydropyrrole has a molecular weight of 95.14 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-methylidene-2,4-dihydropyrrole is sourced from PubChem (CID 59659995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).