1-tert-butylpyrrol-3-ol

C8H13NO — CID 11051728

IUPAC1-tert-butylpyrrol-3-ol
SMILESCC(C)(C)n1ccc(O)c1
InChIInChI=1S/C8H13NO/c1-8(2,3)9-5-4-7(10)6-9/h4-6,10H,1-3H3
InChIKeyGCPFTQUSBKRZBD-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.95
Rot. Bonds

About 1-tert-butylpyrrol-3-ol

1-tert-butylpyrrol-3-ol (PubChem CID 11051728) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-tert-butylpyrrol-3-ol.

Molecular Properties

Compound Name1-tert-butylpyrrol-3-ol
PubChem CID11051728
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1-tert-butylpyrrol-3-ol
SMILESCC(C)(C)n1ccc(O)c1
InChIInChI=1S/C8H13NO/c1-8(2,3)9-5-4-7(10)6-9/h4-6,10H,1-3H3
InChIKeyGCPFTQUSBKRZBD-UHFFFAOYSA-N
XLogP1.95
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylpyrrol-3-ol?
The IUPAC name of 1-tert-butylpyrrol-3-ol (CID 11051728) is 1-tert-butylpyrrol-3-ol.
What is the SMILES notation for 1-tert-butylpyrrol-3-ol?
The canonical SMILES for 1-tert-butylpyrrol-3-ol is CC(C)(C)n1ccc(O)c1.
What is the InChIKey of 1-tert-butylpyrrol-3-ol?
The InChIKey is GCPFTQUSBKRZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-8(2,3)9-5-4-7(10)6-9/h4-6,10H,1-3H3.
What are the key properties of 1-tert-butylpyrrol-3-ol?
1-tert-butylpyrrol-3-ol has a molecular weight of 139.20 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylpyrrol-3-ol is sourced from PubChem (CID 11051728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).