2-ethenyl-1,3,4-trimethyl-5-propa-1,2-dienylpyrrole

C12H15N — CID 134516259

IUPAC2-ethenyl-1,3,4-trimethyl-5-propa-1,2-dienylpyrrole
SMILESC=C=Cc1c(C)c(C)c(C=C)n1C
InChIInChI=1S/C12H15N/c1-6-8-12-10(4)9(3)11(7-2)13(12)5/h7-8H,1-2H2,3-5H3
InChIKeyQSYUGMCPOVVQMG-UHFFFAOYSA-N
MW173.26 g/mol
LogP3.08
Rot. Bonds2

About 2-ethenyl-1,3,4-trimethyl-5-propa-1,2-dienylpyrrole

2-ethenyl-1,3,4-trimethyl-5-propa-1,2-dienylpyrrole (PubChem CID 134516259) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-ethenyl-1,3,4-trimethyl-5-propa-1,2-dienylpyrrole.

Molecular Properties

Compound Name2-ethenyl-1,3,4-trimethyl-5-propa-1,2-dienylpyrrole
PubChem CID134516259
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name2-ethenyl-1,3,4-trimethyl-5-propa-1,2-dienylpyrrole
SMILESC=C=Cc1c(C)c(C)c(C=C)n1C
InChIInChI=1S/C12H15N/c1-6-8-12-10(4)9(3)11(7-2)13(12)5/h7-8H,1-2H2,3-5H3
InChIKeyQSYUGMCPOVVQMG-UHFFFAOYSA-N
XLogP3.08
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1,3,4-trimethyl-5-propa-1,2-dienylpyrrole?
The IUPAC name of 2-ethenyl-1,3,4-trimethyl-5-propa-1,2-dienylpyrrole (CID 134516259) is 2-ethenyl-1,3,4-trimethyl-5-propa-1,2-dienylpyrrole.
What is the SMILES notation for 2-ethenyl-1,3,4-trimethyl-5-propa-1,2-dienylpyrrole?
The canonical SMILES for 2-ethenyl-1,3,4-trimethyl-5-propa-1,2-dienylpyrrole is C=C=Cc1c(C)c(C)c(C=C)n1C.
What is the InChIKey of 2-ethenyl-1,3,4-trimethyl-5-propa-1,2-dienylpyrrole?
The InChIKey is QSYUGMCPOVVQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-6-8-12-10(4)9(3)11(7-2)13(12)5/h7-8H,1-2H2,3-5H3.
What are the key properties of 2-ethenyl-1,3,4-trimethyl-5-propa-1,2-dienylpyrrole?
2-ethenyl-1,3,4-trimethyl-5-propa-1,2-dienylpyrrole has a molecular weight of 173.26 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1,3,4-trimethyl-5-propa-1,2-dienylpyrrole is sourced from PubChem (CID 134516259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).