1-methyl-3-prop-1-en-2-ylpyrrole

C8H11N — CID 10941498

IUPAC1-methyl-3-prop-1-en-2-ylpyrrole
SMILESC=C(C)c1ccn(C)c1
InChIInChI=1S/C8H11N/c1-7(2)8-4-5-9(3)6-8/h4-6H,1H2,2-3H3
InChIKeyMXXYSAFGTIYGFE-UHFFFAOYSA-N
MW121.18 g/mol
LogP2.06
Rot. Bonds1

About 1-methyl-3-prop-1-en-2-ylpyrrole

1-methyl-3-prop-1-en-2-ylpyrrole (PubChem CID 10941498) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 1-methyl-3-prop-1-en-2-ylpyrrole.

Molecular Properties

Compound Name1-methyl-3-prop-1-en-2-ylpyrrole
PubChem CID10941498
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name1-methyl-3-prop-1-en-2-ylpyrrole
SMILESC=C(C)c1ccn(C)c1
InChIInChI=1S/C8H11N/c1-7(2)8-4-5-9(3)6-8/h4-6H,1H2,2-3H3
InChIKeyMXXYSAFGTIYGFE-UHFFFAOYSA-N
XLogP2.06
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-prop-1-en-2-ylpyrrole?
The IUPAC name of 1-methyl-3-prop-1-en-2-ylpyrrole (CID 10941498) is 1-methyl-3-prop-1-en-2-ylpyrrole.
What is the SMILES notation for 1-methyl-3-prop-1-en-2-ylpyrrole?
The canonical SMILES for 1-methyl-3-prop-1-en-2-ylpyrrole is C=C(C)c1ccn(C)c1.
What is the InChIKey of 1-methyl-3-prop-1-en-2-ylpyrrole?
The InChIKey is MXXYSAFGTIYGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-7(2)8-4-5-9(3)6-8/h4-6H,1H2,2-3H3.
What are the key properties of 1-methyl-3-prop-1-en-2-ylpyrrole?
1-methyl-3-prop-1-en-2-ylpyrrole has a molecular weight of 121.18 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-prop-1-en-2-ylpyrrole is sourced from PubChem (CID 10941498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).