1,3,4-trimethyl-2,5-dimethylidenepyrrole

C9H13N — CID 18717194

IUPAC1,3,4-trimethyl-2,5-dimethylidenepyrrole
SMILESC=c1c(C)c(C)c(=C)n1C
InChIInChI=1S/C9H13N/c1-6-7(2)9(4)10(5)8(6)3/h3-4H2,1-2,5H3
InChIKeyPXNUUBBTYKFTFN-UHFFFAOYSA-N
MW135.21 g/mol
LogP0.46
Rot. Bonds

About 1,3,4-trimethyl-2,5-dimethylidenepyrrole

1,3,4-trimethyl-2,5-dimethylidenepyrrole (PubChem CID 18717194) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 1,3,4-trimethyl-2,5-dimethylidenepyrrole.

Molecular Properties

Compound Name1,3,4-trimethyl-2,5-dimethylidenepyrrole
PubChem CID18717194
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name1,3,4-trimethyl-2,5-dimethylidenepyrrole
SMILESC=c1c(C)c(C)c(=C)n1C
InChIInChI=1S/C9H13N/c1-6-7(2)9(4)10(5)8(6)3/h3-4H2,1-2,5H3
InChIKeyPXNUUBBTYKFTFN-UHFFFAOYSA-N
XLogP0.46
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 50.46
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-2,5-dimethylidenepyrrole?
The IUPAC name of 1,3,4-trimethyl-2,5-dimethylidenepyrrole (CID 18717194) is 1,3,4-trimethyl-2,5-dimethylidenepyrrole.
What is the SMILES notation for 1,3,4-trimethyl-2,5-dimethylidenepyrrole?
The canonical SMILES for 1,3,4-trimethyl-2,5-dimethylidenepyrrole is C=c1c(C)c(C)c(=C)n1C.
What is the InChIKey of 1,3,4-trimethyl-2,5-dimethylidenepyrrole?
The InChIKey is PXNUUBBTYKFTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-6-7(2)9(4)10(5)8(6)3/h3-4H2,1-2,5H3.
What are the key properties of 1,3,4-trimethyl-2,5-dimethylidenepyrrole?
1,3,4-trimethyl-2,5-dimethylidenepyrrole has a molecular weight of 135.21 g/mol, XLogP of 0.46, 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-2,5-dimethylidenepyrrole is sourced from PubChem (CID 18717194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).