2-methyl-1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]propan-1-one

C18H23NO — CID 79107999

IUPAC2-methyl-1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]propan-1-one
SMILESCc1cc(C)c(Cn2ccc(C(=O)C(C)C)c2)c(C)c1
InChIInChI=1S/C18H23NO/c1-12(2)18(20)16-6-7-19(10-16)11-17-14(4)8-13(3)9-15(17)5/h6-10,12H,11H2,1-5H3
InChIKeyGXAASRUOUWRLCM-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.30
Rot. Bonds4

About 2-methyl-1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]propan-1-one

2-methyl-1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]propan-1-one (PubChem CID 79107999) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-methyl-1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]propan-1-one
PubChem CID79107999
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-methyl-1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]propan-1-one
SMILESCc1cc(C)c(Cn2ccc(C(=O)C(C)C)c2)c(C)c1
InChIInChI=1S/C18H23NO/c1-12(2)18(20)16-6-7-19(10-16)11-17-14(4)8-13(3)9-15(17)5/h6-10,12H,11H2,1-5H3
InChIKeyGXAASRUOUWRLCM-UHFFFAOYSA-N
XLogP4.30
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]propan-1-one 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 2-methyl-1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]propan-1-one (CID 79107999) is 2-methyl-1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]propan-1-one is Cc1cc(C)c(Cn2ccc(C(=O)C(C)C)c2)c(C)c1.
What is the InChIKey of 2-methyl-1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]propan-1-one?
The InChIKey is GXAASRUOUWRLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-12(2)18(20)16-6-7-19(10-16)11-17-14(4)8-13(3)9-15(17)5/h6-10,12H,11H2,1-5H3.
What are the key properties of 2-methyl-1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]propan-1-one?
2-methyl-1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]propan-1-one has a molecular weight of 269.39 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]propan-1-one is sourced from PubChem (CID 79107999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).