3-(2,5-dimethylpyrrol-1-yl)-4,4-dimethylpentan-1-ol

C13H23NO — CID 106353576

IUPAC3-(2,5-dimethylpyrrol-1-yl)-4,4-dimethylpentan-1-ol
SMILESCc1ccc(C)n1C(CCO)C(C)(C)C
InChIInChI=1S/C13H23NO/c1-10-6-7-11(2)14(10)12(8-9-15)13(3,4)5/h6-7,12,15H,8-9H2,1-5H3
InChIKeyBQGNWXXALSAAAP-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.07
Rot. Bonds3

About 3-(2,5-dimethylpyrrol-1-yl)-4,4-dimethylpentan-1-ol

3-(2,5-dimethylpyrrol-1-yl)-4,4-dimethylpentan-1-ol (PubChem CID 106353576) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 3-(2,5-dimethylpyrrol-1-yl)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-(2,5-dimethylpyrrol-1-yl)-4,4-dimethylpentan-1-ol
PubChem CID106353576
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name3-(2,5-dimethylpyrrol-1-yl)-4,4-dimethylpentan-1-ol
SMILESCc1ccc(C)n1C(CCO)C(C)(C)C
InChIInChI=1S/C13H23NO/c1-10-6-7-11(2)14(10)12(8-9-15)13(3,4)5/h6-7,12,15H,8-9H2,1-5H3
InChIKeyBQGNWXXALSAAAP-UHFFFAOYSA-N
XLogP3.07
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-methylbenzimidazole-5-carboxylic acid
CID 106352524
5-bromo-2-(1-hydroxy-4,4-dimethylpentan-3-yl)isoindole-1,3-dione
CID 106353617
1-[(2S)-butan-2-yl]-2,5-dimethylpyrrole
CID 7036282
4,4-dimethyl-3-(3-propan-2-ylazetidin-1-yl)pentan-1-ol
CID 106353579
3-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-azabicyclo[3.2.1]octane-2,4-dione
CID 106353562
3,4-ditert-butylhexane-1,6-diol
CID 174460247
4,4-dimethyl-3-(3-propylazetidin-1-yl)pentan-1-ol
CID 106353580
3-(3,3-dimethoxyazetidin-1-yl)-4,4-dimethylpentan-1-ol
CID 106353639
(3S)-3,4,4-trimethylpentan-1-ol
CID 124507131
(2,5-dimethylpyrrol-1-yl)methanol
CID 15749502
3-(2,5-dimethylpyrrol-1-yl)-2-methylsulfanylbutan-1-ol
CID 106159415
3-(4-bromophenyl)-4,4-dimethylpentan-1-ol
CID 115050497

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylpyrrol-1-yl)-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-(2,5-dimethylpyrrol-1-yl)-4,4-dimethylpentan-1-ol (CID 106353576) is 3-(2,5-dimethylpyrrol-1-yl)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-(2,5-dimethylpyrrol-1-yl)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-(2,5-dimethylpyrrol-1-yl)-4,4-dimethylpentan-1-ol is Cc1ccc(C)n1C(CCO)C(C)(C)C.
What is the InChIKey of 3-(2,5-dimethylpyrrol-1-yl)-4,4-dimethylpentan-1-ol?
The InChIKey is BQGNWXXALSAAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-10-6-7-11(2)14(10)12(8-9-15)13(3,4)5/h6-7,12,15H,8-9H2,1-5H3.
What are the key properties of 3-(2,5-dimethylpyrrol-1-yl)-4,4-dimethylpentan-1-ol?
3-(2,5-dimethylpyrrol-1-yl)-4,4-dimethylpentan-1-ol has a molecular weight of 209.33 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylpyrrol-1-yl)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106353576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).