4-(2,2-dimethylpropyl)-2-methyl-1H-pyrrole

C10H17N — CID 66831426

IUPAC4-(2,2-dimethylpropyl)-2-methyl-1H-pyrrole
SMILESCc1cc(CC(C)(C)C)c[nH]1
InChIInChI=1S/C10H17N/c1-8-5-9(7-11-8)6-10(2,3)4/h5,7,11H,6H2,1-4H3
InChIKeyJQDWFTDTBRCXTN-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.91
Rot. Bonds1

About 4-(2,2-dimethylpropyl)-2-methyl-1H-pyrrole

4-(2,2-dimethylpropyl)-2-methyl-1H-pyrrole (PubChem CID 66831426) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-2-methyl-1H-pyrrole.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-2-methyl-1H-pyrrole
PubChem CID66831426
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name4-(2,2-dimethylpropyl)-2-methyl-1H-pyrrole
SMILESCc1cc(CC(C)(C)C)c[nH]1
InChIInChI=1S/C10H17N/c1-8-5-9(7-11-8)6-10(2,3)4/h5,7,11H,6H2,1-4H3
InChIKeyJQDWFTDTBRCXTN-UHFFFAOYSA-N
XLogP2.91
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

CID 6736
CID 6736
CID 12489
CID 12489
CID 6092
CID 6092
CID 324305
CID 324305
CID 39539
CID 39539
CID 2222065
CID 2222065
CID 72898
CID 72898
CID 10600
CID 10600
CID 97429
CID 97429
CID 260796
CID 260796
CID 16620
CID 16620
CID 68125
CID 68125

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-2-methyl-1H-pyrrole?
The IUPAC name of 4-(2,2-dimethylpropyl)-2-methyl-1H-pyrrole (CID 66831426) is 4-(2,2-dimethylpropyl)-2-methyl-1H-pyrrole.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-2-methyl-1H-pyrrole?
The canonical SMILES for 4-(2,2-dimethylpropyl)-2-methyl-1H-pyrrole is Cc1cc(CC(C)(C)C)c[nH]1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-2-methyl-1H-pyrrole?
The InChIKey is JQDWFTDTBRCXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-8-5-9(7-11-8)6-10(2,3)4/h5,7,11H,6H2,1-4H3.
What are the key properties of 4-(2,2-dimethylpropyl)-2-methyl-1H-pyrrole?
4-(2,2-dimethylpropyl)-2-methyl-1H-pyrrole has a molecular weight of 151.25 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-2-methyl-1H-pyrrole is sourced from PubChem (CID 66831426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).