2-(2-methylpropyl)-5-phenyl-3,4-dihydro-2H-pyrrole

C14H19N — CID 174666856

IUPAC2-(2-methylpropyl)-5-phenyl-3,4-dihydro-2H-pyrrole
SMILESCC(C)CC1CCC(c2ccccc2)=N1
InChIInChI=1S/C14H19N/c1-11(2)10-13-8-9-14(15-13)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3
InChIKeyMIXXZWOXEHJDJJ-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.68
Rot. Bonds3

About 2-(2-methylpropyl)-5-phenyl-3,4-dihydro-2H-pyrrole

2-(2-methylpropyl)-5-phenyl-3,4-dihydro-2H-pyrrole (PubChem CID 174666856) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-(2-methylpropyl)-5-phenyl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name2-(2-methylpropyl)-5-phenyl-3,4-dihydro-2H-pyrrole
PubChem CID174666856
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name2-(2-methylpropyl)-5-phenyl-3,4-dihydro-2H-pyrrole
SMILESCC(C)CC1CCC(c2ccccc2)=N1
InChIInChI=1S/C14H19N/c1-11(2)10-13-8-9-14(15-13)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3
InChIKeyMIXXZWOXEHJDJJ-UHFFFAOYSA-N
XLogP3.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-5-phenyl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 2-(2-methylpropyl)-5-phenyl-3,4-dihydro-2H-pyrrole (CID 174666856) is 2-(2-methylpropyl)-5-phenyl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 2-(2-methylpropyl)-5-phenyl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 2-(2-methylpropyl)-5-phenyl-3,4-dihydro-2H-pyrrole is CC(C)CC1CCC(c2ccccc2)=N1.
What is the InChIKey of 2-(2-methylpropyl)-5-phenyl-3,4-dihydro-2H-pyrrole?
The InChIKey is MIXXZWOXEHJDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-11(2)10-13-8-9-14(15-13)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-5-phenyl-3,4-dihydro-2H-pyrrole?
2-(2-methylpropyl)-5-phenyl-3,4-dihydro-2H-pyrrole has a molecular weight of 201.31 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-5-phenyl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 174666856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).