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

C12H19NO — CID 130601659

IUPAC2-cyclopropyl-1-(2,5-dimethylpyrrol-1-yl)propan-2-ol
SMILESCc1ccc(C)n1CC(C)(O)C1CC1
InChIInChI=1S/C12H19NO/c1-9-4-5-10(2)13(9)8-12(3,14)11-6-7-11/h4-5,11,14H,6-8H2,1-3H3
InChIKeyRSXWTVPIHOHLJW-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.27
Rot. Bonds3

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

2-cyclopropyl-1-(2,5-dimethylpyrrol-1-yl)propan-2-ol (PubChem CID 130601659) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-cyclopropyl-1-(2,5-dimethylpyrrol-1-yl)propan-2-ol.

Molecular Properties

Compound Name2-cyclopropyl-1-(2,5-dimethylpyrrol-1-yl)propan-2-ol
PubChem CID130601659
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-cyclopropyl-1-(2,5-dimethylpyrrol-1-yl)propan-2-ol
SMILESCc1ccc(C)n1CC(C)(O)C1CC1
InChIInChI=1S/C12H19NO/c1-9-4-5-10(2)13(9)8-12(3,14)11-6-7-11/h4-5,11,14H,6-8H2,1-3H3
InChIKeyRSXWTVPIHOHLJW-UHFFFAOYSA-N
XLogP2.27
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(2,5-dimethylpyrrol-1-yl)propan-2-ol?
The IUPAC name of 2-cyclopropyl-1-(2,5-dimethylpyrrol-1-yl)propan-2-ol (CID 130601659) is 2-cyclopropyl-1-(2,5-dimethylpyrrol-1-yl)propan-2-ol.
What is the SMILES notation for 2-cyclopropyl-1-(2,5-dimethylpyrrol-1-yl)propan-2-ol?
The canonical SMILES for 2-cyclopropyl-1-(2,5-dimethylpyrrol-1-yl)propan-2-ol is Cc1ccc(C)n1CC(C)(O)C1CC1.
What is the InChIKey of 2-cyclopropyl-1-(2,5-dimethylpyrrol-1-yl)propan-2-ol?
The InChIKey is RSXWTVPIHOHLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-9-4-5-10(2)13(9)8-12(3,14)11-6-7-11/h4-5,11,14H,6-8H2,1-3H3.
What are the key properties of 2-cyclopropyl-1-(2,5-dimethylpyrrol-1-yl)propan-2-ol?
2-cyclopropyl-1-(2,5-dimethylpyrrol-1-yl)propan-2-ol has a molecular weight of 193.29 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(2,5-dimethylpyrrol-1-yl)propan-2-ol is sourced from PubChem (CID 130601659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).