5-methyl-4-[(Z)-prop-1-enyl]-3H-pyrrole

C8H11N — CID 130368424

IUPAC5-methyl-4-[(Z)-prop-1-enyl]-3H-pyrrole
SMILESC/C=C\C1=C(C)N=CC1
InChIInChI=1S/C8H11N/c1-3-4-8-5-6-9-7(8)2/h3-4,6H,5H2,1-2H3/b4-3-
InChIKeyLDCDZVAGOIFTBF-ARJAWSKDSA-N
MW121.18 g/mol
LogP2.31
Rot. Bonds1

About 5-methyl-4-[(Z)-prop-1-enyl]-3H-pyrrole

5-methyl-4-[(Z)-prop-1-enyl]-3H-pyrrole (PubChem CID 130368424) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 5-methyl-4-[(Z)-prop-1-enyl]-3H-pyrrole.

Molecular Properties

Compound Name5-methyl-4-[(Z)-prop-1-enyl]-3H-pyrrole
PubChem CID130368424
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name5-methyl-4-[(Z)-prop-1-enyl]-3H-pyrrole
SMILESC/C=C\C1=C(C)N=CC1
InChIInChI=1S/C8H11N/c1-3-4-8-5-6-9-7(8)2/h3-4,6H,5H2,1-2H3/b4-3-
InChIKeyLDCDZVAGOIFTBF-ARJAWSKDSA-N
XLogP2.31
TPSA12.36 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 ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-methyl-4-[(Z)-prop-1-enyl]-3H-pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(Z)-prop-1-enyl]-3H-pyrrole?
The IUPAC name of 5-methyl-4-[(Z)-prop-1-enyl]-3H-pyrrole (CID 130368424) is 5-methyl-4-[(Z)-prop-1-enyl]-3H-pyrrole.
What is the SMILES notation for 5-methyl-4-[(Z)-prop-1-enyl]-3H-pyrrole?
The canonical SMILES for 5-methyl-4-[(Z)-prop-1-enyl]-3H-pyrrole is C/C=C\C1=C(C)N=CC1.
What is the InChIKey of 5-methyl-4-[(Z)-prop-1-enyl]-3H-pyrrole?
The InChIKey is LDCDZVAGOIFTBF-ARJAWSKDSA-N. The full InChI is InChI=1S/C8H11N/c1-3-4-8-5-6-9-7(8)2/h3-4,6H,5H2,1-2H3/b4-3-.
What are the key properties of 5-methyl-4-[(Z)-prop-1-enyl]-3H-pyrrole?
5-methyl-4-[(Z)-prop-1-enyl]-3H-pyrrole has a molecular weight of 121.18 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(Z)-prop-1-enyl]-3H-pyrrole is sourced from PubChem (CID 130368424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).