1-(4-methylphenyl)-2-propan-2-ylpyrrole

C14H17N — CID 67473616

IUPAC1-(4-methylphenyl)-2-propan-2-ylpyrrole
SMILESCc1ccc(-n2cccc2C(C)C)cc1
InChIInChI=1S/C14H17N/c1-11(2)14-5-4-10-15(14)13-8-6-12(3)7-9-13/h4-11H,1-3H3
InChIKeyBSWWFYCCBCPXBT-UHFFFAOYSA-N
MW199.30 g/mol
LogP3.91
Rot. Bonds2

About 1-(4-methylphenyl)-2-propan-2-ylpyrrole

1-(4-methylphenyl)-2-propan-2-ylpyrrole (PubChem CID 67473616) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-propan-2-ylpyrrole.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-propan-2-ylpyrrole
PubChem CID67473616
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name1-(4-methylphenyl)-2-propan-2-ylpyrrole
SMILESCc1ccc(-n2cccc2C(C)C)cc1
InChIInChI=1S/C14H17N/c1-11(2)14-5-4-10-15(14)13-8-6-12(3)7-9-13/h4-11H,1-3H3
InChIKeyBSWWFYCCBCPXBT-UHFFFAOYSA-N
XLogP3.91
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-propan-2-ylpyrrole?
The IUPAC name of 1-(4-methylphenyl)-2-propan-2-ylpyrrole (CID 67473616) is 1-(4-methylphenyl)-2-propan-2-ylpyrrole.
What is the SMILES notation for 1-(4-methylphenyl)-2-propan-2-ylpyrrole?
The canonical SMILES for 1-(4-methylphenyl)-2-propan-2-ylpyrrole is Cc1ccc(-n2cccc2C(C)C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-propan-2-ylpyrrole?
The InChIKey is BSWWFYCCBCPXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-11(2)14-5-4-10-15(14)13-8-6-12(3)7-9-13/h4-11H,1-3H3.
What are the key properties of 1-(4-methylphenyl)-2-propan-2-ylpyrrole?
1-(4-methylphenyl)-2-propan-2-ylpyrrole has a molecular weight of 199.30 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-propan-2-ylpyrrole is sourced from PubChem (CID 67473616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).