2-butan-2-yl-5-phenyl-1H-pyrrole

C14H17N — CID 70680088

IUPAC2-butan-2-yl-5-phenyl-1H-pyrrole
SMILESCCC(C)c1ccc(-c2ccccc2)[nH]1
InChIInChI=1S/C14H17N/c1-3-11(2)13-9-10-14(15-13)12-7-5-4-6-8-12/h4-11,15H,3H2,1-2H3
InChIKeyCKOPPECBTCHMPP-UHFFFAOYSA-N
MW199.30 g/mol
LogP4.20
Rot. Bonds3

About 2-butan-2-yl-5-phenyl-1H-pyrrole

2-butan-2-yl-5-phenyl-1H-pyrrole (PubChem CID 70680088) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-butan-2-yl-5-phenyl-1H-pyrrole.

Molecular Properties

Compound Name2-butan-2-yl-5-phenyl-1H-pyrrole
PubChem CID70680088
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name2-butan-2-yl-5-phenyl-1H-pyrrole
SMILESCCC(C)c1ccc(-c2ccccc2)[nH]1
InChIInChI=1S/C14H17N/c1-3-11(2)13-9-10-14(15-13)12-7-5-4-6-8-12/h4-11,15H,3H2,1-2H3
InChIKeyCKOPPECBTCHMPP-UHFFFAOYSA-N
XLogP4.20
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-5-phenyl-1H-pyrrole?
The IUPAC name of 2-butan-2-yl-5-phenyl-1H-pyrrole (CID 70680088) is 2-butan-2-yl-5-phenyl-1H-pyrrole.
What is the SMILES notation for 2-butan-2-yl-5-phenyl-1H-pyrrole?
The canonical SMILES for 2-butan-2-yl-5-phenyl-1H-pyrrole is CCC(C)c1ccc(-c2ccccc2)[nH]1.
What is the InChIKey of 2-butan-2-yl-5-phenyl-1H-pyrrole?
The InChIKey is CKOPPECBTCHMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-3-11(2)13-9-10-14(15-13)12-7-5-4-6-8-12/h4-11,15H,3H2,1-2H3.
What are the key properties of 2-butan-2-yl-5-phenyl-1H-pyrrole?
2-butan-2-yl-5-phenyl-1H-pyrrole has a molecular weight of 199.30 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-5-phenyl-1H-pyrrole is sourced from PubChem (CID 70680088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).