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

C7H11N — CID 20663941

IUPAC2,5-dimethyl-3-methylidene-2,4-dihydropyrrole
SMILESC=C1CC(C)=NC1C
InChIInChI=1S/C7H11N/c1-5-4-6(2)8-7(5)3/h7H,1,4H2,2-3H3
InChIKeyZGPIDFISGKRDPF-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.80
Rot. Bonds

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

2,5-dimethyl-3-methylidene-2,4-dihydropyrrole (PubChem CID 20663941) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 2,5-dimethyl-3-methylidene-2,4-dihydropyrrole.

Molecular Properties

Compound Name2,5-dimethyl-3-methylidene-2,4-dihydropyrrole
PubChem CID20663941
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name2,5-dimethyl-3-methylidene-2,4-dihydropyrrole
SMILESC=C1CC(C)=NC1C
InChIInChI=1S/C7H11N/c1-5-4-6(2)8-7(5)3/h7H,1,4H2,2-3H3
InChIKeyZGPIDFISGKRDPF-UHFFFAOYSA-N
XLogP1.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.80
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 2,5-dimethyl-3-methylidene-2,4-dihydropyrrole?
The IUPAC name of 2,5-dimethyl-3-methylidene-2,4-dihydropyrrole (CID 20663941) is 2,5-dimethyl-3-methylidene-2,4-dihydropyrrole.
What is the SMILES notation for 2,5-dimethyl-3-methylidene-2,4-dihydropyrrole?
The canonical SMILES for 2,5-dimethyl-3-methylidene-2,4-dihydropyrrole is C=C1CC(C)=NC1C.
What is the InChIKey of 2,5-dimethyl-3-methylidene-2,4-dihydropyrrole?
The InChIKey is ZGPIDFISGKRDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-5-4-6(2)8-7(5)3/h7H,1,4H2,2-3H3.
What are the key properties of 2,5-dimethyl-3-methylidene-2,4-dihydropyrrole?
2,5-dimethyl-3-methylidene-2,4-dihydropyrrole has a molecular weight of 109.17 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-methylidene-2,4-dihydropyrrole is sourced from PubChem (CID 20663941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).