1-methyl-2-(4-prop-1-en-2-ylphenyl)pyrrole

C14H15N — CID 174651508

IUPAC1-methyl-2-(4-prop-1-en-2-ylphenyl)pyrrole
SMILESC=C(C)c1ccc(-c2cccn2C)cc1
InChIInChI=1S/C14H15N/c1-11(2)12-6-8-13(9-7-12)14-5-4-10-15(14)3/h4-10H,1H2,2-3H3
InChIKeyNZPJTOXJQVVUDJ-UHFFFAOYSA-N
MW197.28 g/mol
LogP3.73
Rot. Bonds2

About 1-methyl-2-(4-prop-1-en-2-ylphenyl)pyrrole

1-methyl-2-(4-prop-1-en-2-ylphenyl)pyrrole (PubChem CID 174651508) has the molecular formula C14H15N and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-methyl-2-(4-prop-1-en-2-ylphenyl)pyrrole.

Molecular Properties

Compound Name1-methyl-2-(4-prop-1-en-2-ylphenyl)pyrrole
PubChem CID174651508
Molecular FormulaC14H15N
Molecular Weight197.28 g/mol
Exact Mass197.12
IUPAC Name1-methyl-2-(4-prop-1-en-2-ylphenyl)pyrrole
SMILESC=C(C)c1ccc(-c2cccn2C)cc1
InChIInChI=1S/C14H15N/c1-11(2)12-6-8-13(9-7-12)14-5-4-10-15(14)3/h4-10H,1H2,2-3H3
InChIKeyNZPJTOXJQVVUDJ-UHFFFAOYSA-N
XLogP3.73
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(4-prop-1-en-2-ylphenyl)pyrrole?
The IUPAC name of 1-methyl-2-(4-prop-1-en-2-ylphenyl)pyrrole (CID 174651508) is 1-methyl-2-(4-prop-1-en-2-ylphenyl)pyrrole.
What is the SMILES notation for 1-methyl-2-(4-prop-1-en-2-ylphenyl)pyrrole?
The canonical SMILES for 1-methyl-2-(4-prop-1-en-2-ylphenyl)pyrrole is C=C(C)c1ccc(-c2cccn2C)cc1.
What is the InChIKey of 1-methyl-2-(4-prop-1-en-2-ylphenyl)pyrrole?
The InChIKey is NZPJTOXJQVVUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N/c1-11(2)12-6-8-13(9-7-12)14-5-4-10-15(14)3/h4-10H,1H2,2-3H3.
What are the key properties of 1-methyl-2-(4-prop-1-en-2-ylphenyl)pyrrole?
1-methyl-2-(4-prop-1-en-2-ylphenyl)pyrrole has a molecular weight of 197.28 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(4-prop-1-en-2-ylphenyl)pyrrole is sourced from PubChem (CID 174651508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).