1-methyl-2-propan-2-yl-4-(4-propan-2-ylphenyl)pyrrole

C17H23N — CID 157180048

IUPAC1-methyl-2-propan-2-yl-4-(4-propan-2-ylphenyl)pyrrole
SMILESCC(C)c1ccc(-c2cc(C(C)C)n(C)c2)cc1
InChIInChI=1S/C17H23N/c1-12(2)14-6-8-15(9-7-14)16-10-17(13(3)4)18(5)11-16/h6-13H,1-5H3
InChIKeyNXNWNWDVQQIILE-UHFFFAOYSA-N
MW241.38 g/mol
LogP4.94
Rot. Bonds3

About 1-methyl-2-propan-2-yl-4-(4-propan-2-ylphenyl)pyrrole

1-methyl-2-propan-2-yl-4-(4-propan-2-ylphenyl)pyrrole (PubChem CID 157180048) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-methyl-2-propan-2-yl-4-(4-propan-2-ylphenyl)pyrrole.

Molecular Properties

Compound Name1-methyl-2-propan-2-yl-4-(4-propan-2-ylphenyl)pyrrole
PubChem CID157180048
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name1-methyl-2-propan-2-yl-4-(4-propan-2-ylphenyl)pyrrole
SMILESCC(C)c1ccc(-c2cc(C(C)C)n(C)c2)cc1
InChIInChI=1S/C17H23N/c1-12(2)14-6-8-15(9-7-14)16-10-17(13(3)4)18(5)11-16/h6-13H,1-5H3
InChIKeyNXNWNWDVQQIILE-UHFFFAOYSA-N
XLogP4.94
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-propan-2-yl-3,5-bis(4-propan-2-ylphenyl)benzene
CID 91306143
1,3-dimethyl-5-(4-propan-2-ylphenyl)benzene
CID 123198659
1-phenyl-4-(3-propan-2-ylphenyl)benzene;1-phenyl-4-(4-propan-2-ylphenyl)benzene
CID 160951739
5-[4-[(1R)-1-aminoethyl]phenyl]-1,3-dimethylpyridin-2-one
CID 134258642
2-methyl-6-(4-propan-2-ylphenyl)pyrazolo[4,3-b]pyridine
CID 155969673
4-(4-propan-2-ylphenyl)phosphinine
CID 142128877
2,4-di(propan-2-yl)-1-(4-propan-2-ylphenyl)benzene
CID 22103899
2,6-dimethyl-4-(4-propan-2-ylphenyl)pyridine
CID 176864859
3-(4-propan-2-ylphenyl)-1H-pyrrole
CID 12665453
cumene;zinc
CID 159490121
5-[4-[1-(dimethylamino)ethyl]phenyl]-1,3-dimethylpyridin-2-one
CID 134258559
ethane;molecular hydrogen;1-phenyl-4-propan-2-ylbenzene;propane
CID 142053065

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-propan-2-yl-4-(4-propan-2-ylphenyl)pyrrole?
The IUPAC name of 1-methyl-2-propan-2-yl-4-(4-propan-2-ylphenyl)pyrrole (CID 157180048) is 1-methyl-2-propan-2-yl-4-(4-propan-2-ylphenyl)pyrrole.
What is the SMILES notation for 1-methyl-2-propan-2-yl-4-(4-propan-2-ylphenyl)pyrrole?
The canonical SMILES for 1-methyl-2-propan-2-yl-4-(4-propan-2-ylphenyl)pyrrole is CC(C)c1ccc(-c2cc(C(C)C)n(C)c2)cc1.
What is the InChIKey of 1-methyl-2-propan-2-yl-4-(4-propan-2-ylphenyl)pyrrole?
The InChIKey is NXNWNWDVQQIILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-12(2)14-6-8-15(9-7-14)16-10-17(13(3)4)18(5)11-16/h6-13H,1-5H3.
What are the key properties of 1-methyl-2-propan-2-yl-4-(4-propan-2-ylphenyl)pyrrole?
1-methyl-2-propan-2-yl-4-(4-propan-2-ylphenyl)pyrrole has a molecular weight of 241.38 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-propan-2-yl-4-(4-propan-2-ylphenyl)pyrrole is sourced from PubChem (CID 157180048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).