3-chloro-1-methyl-4-[(E)-prop-1-enyl]pyrrole

C8H10ClN — CID 158484920

IUPAC3-chloro-1-methyl-4-[(E)-prop-1-enyl]pyrrole
SMILESC/C=C/c1cn(C)cc1Cl
InChIInChI=1S/C8H10ClN/c1-3-4-7-5-10(2)6-8(7)9/h3-6H,1-2H3/b4-3+
InChIKeyHOBAJVVZVKNVSC-ONEGZZNKSA-N
MW155.63 g/mol
LogP2.71
Rot. Bonds1

About 3-chloro-1-methyl-4-[(E)-prop-1-enyl]pyrrole

3-chloro-1-methyl-4-[(E)-prop-1-enyl]pyrrole (PubChem CID 158484920) has the molecular formula C8H10ClN and a molecular weight of 155.63 g/mol. Its IUPAC name is 3-chloro-1-methyl-4-[(E)-prop-1-enyl]pyrrole.

Molecular Properties

Compound Name3-chloro-1-methyl-4-[(E)-prop-1-enyl]pyrrole
PubChem CID158484920
Molecular FormulaC8H10ClN
Molecular Weight155.63 g/mol
Exact Mass155.05
IUPAC Name3-chloro-1-methyl-4-[(E)-prop-1-enyl]pyrrole
SMILESC/C=C/c1cn(C)cc1Cl
InChIInChI=1S/C8H10ClN/c1-3-4-7-5-10(2)6-8(7)9/h3-6H,1-2H3/b4-3+
InChIKeyHOBAJVVZVKNVSC-ONEGZZNKSA-N
XLogP2.71
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.63
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-chloro-1-methyl-4-[(E)-prop-1-enyl]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 3-chloro-1-methyl-4-[(E)-prop-1-enyl]pyrrole?
The IUPAC name of 3-chloro-1-methyl-4-[(E)-prop-1-enyl]pyrrole (CID 158484920) is 3-chloro-1-methyl-4-[(E)-prop-1-enyl]pyrrole.
What is the SMILES notation for 3-chloro-1-methyl-4-[(E)-prop-1-enyl]pyrrole?
The canonical SMILES for 3-chloro-1-methyl-4-[(E)-prop-1-enyl]pyrrole is C/C=C/c1cn(C)cc1Cl.
What is the InChIKey of 3-chloro-1-methyl-4-[(E)-prop-1-enyl]pyrrole?
The InChIKey is HOBAJVVZVKNVSC-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H10ClN/c1-3-4-7-5-10(2)6-8(7)9/h3-6H,1-2H3/b4-3+.
What are the key properties of 3-chloro-1-methyl-4-[(E)-prop-1-enyl]pyrrole?
3-chloro-1-methyl-4-[(E)-prop-1-enyl]pyrrole has a molecular weight of 155.63 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-methyl-4-[(E)-prop-1-enyl]pyrrole is sourced from PubChem (CID 158484920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).