2,4-dimethyl-1-phenyl-3,5-di(propan-2-yl)pyrrole

C18H25N — CID 91935672

IUPAC2,4-dimethyl-1-phenyl-3,5-di(propan-2-yl)pyrrole
SMILESCc1c(C(C)C)c(C)n(-c2ccccc2)c1C(C)C
InChIInChI=1S/C18H25N/c1-12(2)17-14(5)18(13(3)4)19(15(17)6)16-10-8-7-9-11-16/h7-13H,1-6H3
InChIKeyGDSLIWRAKSWNOU-UHFFFAOYSA-N
MW255.40 g/mol
LogP5.34
Rot. Bonds3

About 2,4-dimethyl-1-phenyl-3,5-di(propan-2-yl)pyrrole

2,4-dimethyl-1-phenyl-3,5-di(propan-2-yl)pyrrole (PubChem CID 91935672) has the molecular formula C18H25N and a molecular weight of 255.40 g/mol. Its IUPAC name is 2,4-dimethyl-1-phenyl-3,5-di(propan-2-yl)pyrrole.

Molecular Properties

Compound Name2,4-dimethyl-1-phenyl-3,5-di(propan-2-yl)pyrrole
PubChem CID91935672
Molecular FormulaC18H25N
Molecular Weight255.40 g/mol
Exact Mass255.20
IUPAC Name2,4-dimethyl-1-phenyl-3,5-di(propan-2-yl)pyrrole
SMILESCc1c(C(C)C)c(C)n(-c2ccccc2)c1C(C)C
InChIInChI=1S/C18H25N/c1-12(2)17-14(5)18(13(3)4)19(15(17)6)16-10-8-7-9-11-16/h7-13H,1-6H3
InChIKeyGDSLIWRAKSWNOU-UHFFFAOYSA-N
XLogP5.34
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.40
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-phenyl-3,5-di(propan-2-yl)pyrrole?
The IUPAC name of 2,4-dimethyl-1-phenyl-3,5-di(propan-2-yl)pyrrole (CID 91935672) is 2,4-dimethyl-1-phenyl-3,5-di(propan-2-yl)pyrrole.
What is the SMILES notation for 2,4-dimethyl-1-phenyl-3,5-di(propan-2-yl)pyrrole?
The canonical SMILES for 2,4-dimethyl-1-phenyl-3,5-di(propan-2-yl)pyrrole is Cc1c(C(C)C)c(C)n(-c2ccccc2)c1C(C)C.
What is the InChIKey of 2,4-dimethyl-1-phenyl-3,5-di(propan-2-yl)pyrrole?
The InChIKey is GDSLIWRAKSWNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N/c1-12(2)17-14(5)18(13(3)4)19(15(17)6)16-10-8-7-9-11-16/h7-13H,1-6H3.
What are the key properties of 2,4-dimethyl-1-phenyl-3,5-di(propan-2-yl)pyrrole?
2,4-dimethyl-1-phenyl-3,5-di(propan-2-yl)pyrrole has a molecular weight of 255.40 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-phenyl-3,5-di(propan-2-yl)pyrrole is sourced from PubChem (CID 91935672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).