3,3,5-trimethyl-4-methylidene-2H-pyrrole

C8H13N — CID 123236228

IUPAC3,3,5-trimethyl-4-methylidene-2H-pyrrole
SMILESC=C1C(C)=NCC1(C)C
InChIInChI=1S/C8H13N/c1-6-7(2)9-5-8(6,3)4/h1,5H2,2-4H3
InChIKeyADUPETZKLRKBGV-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.04
Rot. Bonds

About 3,3,5-trimethyl-4-methylidene-2H-pyrrole

3,3,5-trimethyl-4-methylidene-2H-pyrrole (PubChem CID 123236228) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 3,3,5-trimethyl-4-methylidene-2H-pyrrole.

Molecular Properties

Compound Name3,3,5-trimethyl-4-methylidene-2H-pyrrole
PubChem CID123236228
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name3,3,5-trimethyl-4-methylidene-2H-pyrrole
SMILESC=C1C(C)=NCC1(C)C
InChIInChI=1S/C8H13N/c1-6-7(2)9-5-8(6,3)4/h1,5H2,2-4H3
InChIKeyADUPETZKLRKBGV-UHFFFAOYSA-N
XLogP2.04
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-ethyl-3,3-dimethyl-4-methylidene-2H-pyrrole
CID 91088690
2,3,3,5-tetramethyl-4-methylidene-2H-pyrrole
CID 91113963
(4Z)-4-ethylidene-3,3,5-trimethyl-2H-pyrrole
CID 91393204
5-Methyl-4-methylidene-2,3-dihydropyrrole
CID 123507829
4-methyl-3-methylidene-N-(4-methylpentyl)pentan-2-imine
CID 123518939
3,3-Dimethyl-5-prop-1-en-2-yl-2,4-dihydropyrrole
CID 141227467
5-Ethenyl-3,3-dimethyl-2,4-dihydropyrrole
CID 141258836

Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-4-methylidene-2H-pyrrole?
The IUPAC name of 3,3,5-trimethyl-4-methylidene-2H-pyrrole (CID 123236228) is 3,3,5-trimethyl-4-methylidene-2H-pyrrole.
What is the SMILES notation for 3,3,5-trimethyl-4-methylidene-2H-pyrrole?
The canonical SMILES for 3,3,5-trimethyl-4-methylidene-2H-pyrrole is C=C1C(C)=NCC1(C)C.
What is the InChIKey of 3,3,5-trimethyl-4-methylidene-2H-pyrrole?
The InChIKey is ADUPETZKLRKBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-6-7(2)9-5-8(6,3)4/h1,5H2,2-4H3.
What are the key properties of 3,3,5-trimethyl-4-methylidene-2H-pyrrole?
3,3,5-trimethyl-4-methylidene-2H-pyrrole has a molecular weight of 123.20 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-4-methylidene-2H-pyrrole is sourced from PubChem (CID 123236228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).