3,4-bis(2,2-dimethylpropoxy)-1H-pyrrole

C14H25NO2 — CID 59030081

IUPAC3,4-bis(2,2-dimethylpropoxy)-1H-pyrrole
SMILESCC(C)(C)COc1c[nH]cc1OCC(C)(C)C
InChIInChI=1S/C14H25NO2/c1-13(2,3)9-16-11-7-15-8-12(11)17-10-14(4,5)6/h7-8,15H,9-10H2,1-6H3
InChIKeyUUUIYWCRTJBWSG-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.86
Rot. Bonds4

About 3,4-bis(2,2-dimethylpropoxy)-1H-pyrrole

3,4-bis(2,2-dimethylpropoxy)-1H-pyrrole (PubChem CID 59030081) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 3,4-bis(2,2-dimethylpropoxy)-1H-pyrrole.

Molecular Properties

Compound Name3,4-bis(2,2-dimethylpropoxy)-1H-pyrrole
PubChem CID59030081
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name3,4-bis(2,2-dimethylpropoxy)-1H-pyrrole
SMILESCC(C)(C)COc1c[nH]cc1OCC(C)(C)C
InChIInChI=1S/C14H25NO2/c1-13(2,3)9-16-11-7-15-8-12(11)17-10-14(4,5)6/h7-8,15H,9-10H2,1-6H3
InChIKeyUUUIYWCRTJBWSG-UHFFFAOYSA-N
XLogP3.86
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(2,2-dimethylpropoxy)-1H-pyrrole?
The IUPAC name of 3,4-bis(2,2-dimethylpropoxy)-1H-pyrrole (CID 59030081) is 3,4-bis(2,2-dimethylpropoxy)-1H-pyrrole.
What is the SMILES notation for 3,4-bis(2,2-dimethylpropoxy)-1H-pyrrole?
The canonical SMILES for 3,4-bis(2,2-dimethylpropoxy)-1H-pyrrole is CC(C)(C)COc1c[nH]cc1OCC(C)(C)C.
What is the InChIKey of 3,4-bis(2,2-dimethylpropoxy)-1H-pyrrole?
The InChIKey is UUUIYWCRTJBWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-13(2,3)9-16-11-7-15-8-12(11)17-10-14(4,5)6/h7-8,15H,9-10H2,1-6H3.
What are the key properties of 3,4-bis(2,2-dimethylpropoxy)-1H-pyrrole?
3,4-bis(2,2-dimethylpropoxy)-1H-pyrrole has a molecular weight of 239.36 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(2,2-dimethylpropoxy)-1H-pyrrole is sourced from PubChem (CID 59030081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).