3-methyl-2-prop-1-enyl-1H-pyrrole

C8H11N — CID 123712254

IUPAC3-methyl-2-prop-1-enyl-1H-pyrrole
SMILESCC=Cc1[nH]ccc1C
InChIInChI=1S/C8H11N/c1-3-4-8-7(2)5-6-9-8/h3-6,9H,1-2H3
InChIKeyFALZFSMYIWGBOZ-UHFFFAOYSA-N
MW121.18 g/mol
LogP2.36
Rot. Bonds1

About 3-methyl-2-prop-1-enyl-1H-pyrrole

3-methyl-2-prop-1-enyl-1H-pyrrole (PubChem CID 123712254) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 3-methyl-2-prop-1-enyl-1H-pyrrole.

Molecular Properties

Compound Name3-methyl-2-prop-1-enyl-1H-pyrrole
PubChem CID123712254
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name3-methyl-2-prop-1-enyl-1H-pyrrole
SMILESCC=Cc1[nH]ccc1C
InChIInChI=1S/C8H11N/c1-3-4-8-7(2)5-6-9-8/h3-6,9H,1-2H3
InChIKeyFALZFSMYIWGBOZ-UHFFFAOYSA-N
XLogP2.36
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-prop-1-enyl-1H-pyrrole?
The IUPAC name of 3-methyl-2-prop-1-enyl-1H-pyrrole (CID 123712254) is 3-methyl-2-prop-1-enyl-1H-pyrrole.
What is the SMILES notation for 3-methyl-2-prop-1-enyl-1H-pyrrole?
The canonical SMILES for 3-methyl-2-prop-1-enyl-1H-pyrrole is CC=Cc1[nH]ccc1C.
What is the InChIKey of 3-methyl-2-prop-1-enyl-1H-pyrrole?
The InChIKey is FALZFSMYIWGBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-3-4-8-7(2)5-6-9-8/h3-6,9H,1-2H3.
What are the key properties of 3-methyl-2-prop-1-enyl-1H-pyrrole?
3-methyl-2-prop-1-enyl-1H-pyrrole has a molecular weight of 121.18 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-prop-1-enyl-1H-pyrrole is sourced from PubChem (CID 123712254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).