4-[(Z)-1-(2,3-dimethylphenyl)prop-1-enyl]-3H-pyrrole

C15H17N — CID 162261528

IUPAC4-[(Z)-1-(2,3-dimethylphenyl)prop-1-enyl]-3H-pyrrole
SMILESC/C=C(\C1=CN=CC1)c1cccc(C)c1C
InChIInChI=1S/C15H17N/c1-4-14(13-8-9-16-10-13)15-7-5-6-11(2)12(15)3/h4-7,9-10H,8H2,1-3H3/b14-4+
InChIKeyAHACCNVIGYKBBI-LNKIKWGQSA-N
MW211.31 g/mol
LogP4.07
Rot. Bonds2

About 4-[(Z)-1-(2,3-dimethylphenyl)prop-1-enyl]-3H-pyrrole

4-[(Z)-1-(2,3-dimethylphenyl)prop-1-enyl]-3H-pyrrole (PubChem CID 162261528) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is 4-[(Z)-1-(2,3-dimethylphenyl)prop-1-enyl]-3H-pyrrole.

Molecular Properties

Compound Name4-[(Z)-1-(2,3-dimethylphenyl)prop-1-enyl]-3H-pyrrole
PubChem CID162261528
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC Name4-[(Z)-1-(2,3-dimethylphenyl)prop-1-enyl]-3H-pyrrole
SMILESC/C=C(\C1=CN=CC1)c1cccc(C)c1C
InChIInChI=1S/C15H17N/c1-4-14(13-8-9-16-10-13)15-7-5-6-11(2)12(15)3/h4-7,9-10H,8H2,1-3H3/b14-4+
InChIKeyAHACCNVIGYKBBI-LNKIKWGQSA-N
XLogP4.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-[(Z)-1-(2,3-dimethylphenyl)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 4-[(Z)-1-(2,3-dimethylphenyl)prop-1-enyl]-3H-pyrrole?
The IUPAC name of 4-[(Z)-1-(2,3-dimethylphenyl)prop-1-enyl]-3H-pyrrole (CID 162261528) is 4-[(Z)-1-(2,3-dimethylphenyl)prop-1-enyl]-3H-pyrrole.
What is the SMILES notation for 4-[(Z)-1-(2,3-dimethylphenyl)prop-1-enyl]-3H-pyrrole?
The canonical SMILES for 4-[(Z)-1-(2,3-dimethylphenyl)prop-1-enyl]-3H-pyrrole is C/C=C(\C1=CN=CC1)c1cccc(C)c1C.
What is the InChIKey of 4-[(Z)-1-(2,3-dimethylphenyl)prop-1-enyl]-3H-pyrrole?
The InChIKey is AHACCNVIGYKBBI-LNKIKWGQSA-N. The full InChI is InChI=1S/C15H17N/c1-4-14(13-8-9-16-10-13)15-7-5-6-11(2)12(15)3/h4-7,9-10H,8H2,1-3H3/b14-4+.
What are the key properties of 4-[(Z)-1-(2,3-dimethylphenyl)prop-1-enyl]-3H-pyrrole?
4-[(Z)-1-(2,3-dimethylphenyl)prop-1-enyl]-3H-pyrrole has a molecular weight of 211.31 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-1-(2,3-dimethylphenyl)prop-1-enyl]-3H-pyrrole is sourced from PubChem (CID 162261528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).