1-tert-butyl-2,5-dihydropyrrol-2-ol

C8H15NO — CID 130435692

IUPAC1-tert-butyl-2,5-dihydropyrrol-2-ol
SMILESCC(C)(C)N1CC=CC1O
InChIInChI=1S/C8H15NO/c1-8(2,3)9-6-4-5-7(9)10/h4-5,7,10H,6H2,1-3H3
InChIKeyPETTWDLNYPFIMD-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.98
Rot. Bonds

About 1-tert-butyl-2,5-dihydropyrrol-2-ol

1-tert-butyl-2,5-dihydropyrrol-2-ol (PubChem CID 130435692) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-tert-butyl-2,5-dihydropyrrol-2-ol.

Molecular Properties

Compound Name1-tert-butyl-2,5-dihydropyrrol-2-ol
PubChem CID130435692
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-tert-butyl-2,5-dihydropyrrol-2-ol
SMILESCC(C)(C)N1CC=CC1O
InChIInChI=1S/C8H15NO/c1-8(2,3)9-6-4-5-7(9)10/h4-5,7,10H,6H2,1-3H3
InChIKeyPETTWDLNYPFIMD-UHFFFAOYSA-N
XLogP0.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-tert-butyl-2-propan-2-yl-2,5-dihydropyrrole
CID 146518077
2-hydroxy-2,5-dihydropyrrole-1-carbaldehyde
CID 174543571
(2S,3S)-1-tert-butyl-2-methylpyrrolidin-3-ol
CID 154309422
(2S)-2-tert-butyl-1-methyl-2,5-dihydropyrrole
CID 89477402
1-tert-butyl-2-methylaziridine
CID 15557486
1-tert-butyl-2H-pyridin-2-ol
CID 139394358
(2S,3R,4R,5S)-1-tert-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 130313759
(3R,5S)-1-tert-butylpiperidine-3,4,5-triol
CID 172518129
(3S,6S)-1-tert-butyl-6-methylpiperidin-3-ol
CID 171159721
1-tert-butyl-2H-pyridine
CID 54401784
1-tert-butyl-2,4-dimethylpyrrolidine
CID 72522507
1-tert-butyl-4,4-dimethylimidazolidin-2-ol
CID 167004933

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,5-dihydropyrrol-2-ol?
The IUPAC name of 1-tert-butyl-2,5-dihydropyrrol-2-ol (CID 130435692) is 1-tert-butyl-2,5-dihydropyrrol-2-ol.
What is the SMILES notation for 1-tert-butyl-2,5-dihydropyrrol-2-ol?
The canonical SMILES for 1-tert-butyl-2,5-dihydropyrrol-2-ol is CC(C)(C)N1CC=CC1O.
What is the InChIKey of 1-tert-butyl-2,5-dihydropyrrol-2-ol?
The InChIKey is PETTWDLNYPFIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-8(2,3)9-6-4-5-7(9)10/h4-5,7,10H,6H2,1-3H3.
What are the key properties of 1-tert-butyl-2,5-dihydropyrrol-2-ol?
1-tert-butyl-2,5-dihydropyrrol-2-ol has a molecular weight of 141.21 g/mol, XLogP of 0.98, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2,5-dihydropyrrol-2-ol is sourced from PubChem (CID 130435692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).