3-(2,5-dimethylpyrrol-1-yl)propan-1-ol

C9H15NO — CID 12894118

IUPAC3-(2,5-dimethylpyrrol-1-yl)propan-1-ol
SMILESCc1ccc(C)n1CCCO
InChIInChI=1S/C9H15NO/c1-8-4-5-9(2)10(8)6-3-7-11/h4-5,11H,3,6-7H2,1-2H3
InChIKeyGOUOXVSGSPMQQY-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.49
Rot. Bonds3

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

3-(2,5-dimethylpyrrol-1-yl)propan-1-ol (PubChem CID 12894118) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 3-(2,5-dimethylpyrrol-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-(2,5-dimethylpyrrol-1-yl)propan-1-ol
PubChem CID12894118
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name3-(2,5-dimethylpyrrol-1-yl)propan-1-ol
SMILESCc1ccc(C)n1CCCO
InChIInChI=1S/C9H15NO/c1-8-4-5-9(2)10(8)6-3-7-11/h4-5,11H,3,6-7H2,1-2H3
InChIKeyGOUOXVSGSPMQQY-UHFFFAOYSA-N
XLogP1.49
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylpyrrol-1-yl)propan-1-ol?
The IUPAC name of 3-(2,5-dimethylpyrrol-1-yl)propan-1-ol (CID 12894118) is 3-(2,5-dimethylpyrrol-1-yl)propan-1-ol.
What is the SMILES notation for 3-(2,5-dimethylpyrrol-1-yl)propan-1-ol?
The canonical SMILES for 3-(2,5-dimethylpyrrol-1-yl)propan-1-ol is Cc1ccc(C)n1CCCO.
What is the InChIKey of 3-(2,5-dimethylpyrrol-1-yl)propan-1-ol?
The InChIKey is GOUOXVSGSPMQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-8-4-5-9(2)10(8)6-3-7-11/h4-5,11H,3,6-7H2,1-2H3.
What are the key properties of 3-(2,5-dimethylpyrrol-1-yl)propan-1-ol?
3-(2,5-dimethylpyrrol-1-yl)propan-1-ol has a molecular weight of 153.22 g/mol, XLogP of 1.49, 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)propan-1-ol is sourced from PubChem (CID 12894118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).