1,3,4-trimethyl-5-methylidene-2H-pyrrole

C8H13N — CID 20695483

IUPAC1,3,4-trimethyl-5-methylidene-2H-pyrrole
SMILESC=C1C(C)=C(C)CN1C
InChIInChI=1S/C8H13N/c1-6-5-9(4)8(3)7(6)2/h3,5H2,1-2,4H3
InChIKeyPPIVHRMIOHGIPM-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.78
Rot. Bonds

About 1,3,4-trimethyl-5-methylidene-2H-pyrrole

1,3,4-trimethyl-5-methylidene-2H-pyrrole (PubChem CID 20695483) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 1,3,4-trimethyl-5-methylidene-2H-pyrrole.

Molecular Properties

Compound Name1,3,4-trimethyl-5-methylidene-2H-pyrrole
PubChem CID20695483
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name1,3,4-trimethyl-5-methylidene-2H-pyrrole
SMILESC=C1C(C)=C(C)CN1C
InChIInChI=1S/C8H13N/c1-6-5-9(4)8(3)7(6)2/h3,5H2,1-2,4H3
InChIKeyPPIVHRMIOHGIPM-UHFFFAOYSA-N
XLogP1.78
TPSA3.24 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 ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3,4-trimethyl-5-methylidene-2H-pyrrole?
The IUPAC name of 1,3,4-trimethyl-5-methylidene-2H-pyrrole (CID 20695483) is 1,3,4-trimethyl-5-methylidene-2H-pyrrole.
What is the SMILES notation for 1,3,4-trimethyl-5-methylidene-2H-pyrrole?
The canonical SMILES for 1,3,4-trimethyl-5-methylidene-2H-pyrrole is C=C1C(C)=C(C)CN1C.
What is the InChIKey of 1,3,4-trimethyl-5-methylidene-2H-pyrrole?
The InChIKey is PPIVHRMIOHGIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-6-5-9(4)8(3)7(6)2/h3,5H2,1-2,4H3.
What are the key properties of 1,3,4-trimethyl-5-methylidene-2H-pyrrole?
1,3,4-trimethyl-5-methylidene-2H-pyrrole has a molecular weight of 123.20 g/mol, XLogP of 1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trimethyl-5-methylidene-2H-pyrrole is sourced from PubChem (CID 20695483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).