2-(2,5-dimethylpyrrol-1-yl)propan-1-ol

C9H15NO — CID 12603253

IUPAC2-(2,5-dimethylpyrrol-1-yl)propan-1-ol
SMILESCc1ccc(C)n1C(C)CO
InChIInChI=1S/C9H15NO/c1-7-4-5-8(2)10(7)9(3)6-11/h4-5,9,11H,6H2,1-3H3
InChIKeyCSXNBBAVCWNCKP-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.66
Rot. Bonds2

About 2-(2,5-dimethylpyrrol-1-yl)propan-1-ol

2-(2,5-dimethylpyrrol-1-yl)propan-1-ol (PubChem CID 12603253) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrrol-1-yl)propan-1-ol.

Molecular Properties

Compound Name2-(2,5-dimethylpyrrol-1-yl)propan-1-ol
PubChem CID12603253
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-(2,5-dimethylpyrrol-1-yl)propan-1-ol
SMILESCc1ccc(C)n1C(C)CO
InChIInChI=1S/C9H15NO/c1-7-4-5-8(2)10(7)9(3)6-11/h4-5,9,11H,6H2,1-3H3
InChIKeyCSXNBBAVCWNCKP-UHFFFAOYSA-N
XLogP1.66
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2S)-butan-2-yl]-2,5-dimethylpyrrole
CID 7036282
3-(2,5-dimethylpyrrol-1-yl)-2-methylsulfanylbutan-1-ol
CID 106159415
[(2S)-2-(2,5-dimethylpyrrol-1-yl)propyl] acetate
CID 22812933
1-heptan-2-yl-2,5-dimethylpyrrole
CID 63404385
(2R)-2-(2-methylpyrrol-1-yl)propan-1-ol
CID 45087799
1-(4-methoxybutan-2-yl)-2,5-dimethylpyrrole
CID 64604508
2,5-dimethyl-1-(1-thiophen-2-ylpropan-2-yl)pyrrole
CID 60723209
3-(2,5-dimethylpyrrol-1-yl)-4,4-dimethylpentan-1-ol
CID 106353576
ethyl (2R)-2-(2,5-dimethylpyrrol-1-yl)-3-methylbutanoate
CID 97312210
2,5-dimethyl-1-(1,1,1-trideuteriopropan-2-yl)pyrrole
CID 175931315
(2,5-dimethylpyrrol-1-yl)methanol
CID 15749502
1-(difluoromethyl)-2,5-dimethylpyrrole
CID 146323567

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)propan-1-ol?
The IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)propan-1-ol (CID 12603253) is 2-(2,5-dimethylpyrrol-1-yl)propan-1-ol.
What is the SMILES notation for 2-(2,5-dimethylpyrrol-1-yl)propan-1-ol?
The canonical SMILES for 2-(2,5-dimethylpyrrol-1-yl)propan-1-ol is Cc1ccc(C)n1C(C)CO.
What is the InChIKey of 2-(2,5-dimethylpyrrol-1-yl)propan-1-ol?
The InChIKey is CSXNBBAVCWNCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7-4-5-8(2)10(7)9(3)6-11/h4-5,9,11H,6H2,1-3H3.
What are the key properties of 2-(2,5-dimethylpyrrol-1-yl)propan-1-ol?
2-(2,5-dimethylpyrrol-1-yl)propan-1-ol has a molecular weight of 153.22 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrrol-1-yl)propan-1-ol is sourced from PubChem (CID 12603253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).