1-methyl-5-phenylpyrrol-3-ol

C11H11NO — CID 21290942

IUPAC1-methyl-5-phenylpyrrol-3-ol
SMILESCn1cc(O)cc1-c1ccccc1
InChIInChI=1S/C11H11NO/c1-12-8-10(13)7-11(12)9-5-3-2-4-6-9/h2-8,13H,1H3
InChIKeyCRQVPPWLYYBECR-UHFFFAOYSA-N
MW173.22 g/mol
LogP2.40
Rot. Bonds1

About 1-methyl-5-phenylpyrrol-3-ol

1-methyl-5-phenylpyrrol-3-ol (PubChem CID 21290942) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is 1-methyl-5-phenylpyrrol-3-ol.

Molecular Properties

Compound Name1-methyl-5-phenylpyrrol-3-ol
PubChem CID21290942
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC Name1-methyl-5-phenylpyrrol-3-ol
SMILESCn1cc(O)cc1-c1ccccc1
InChIInChI=1S/C11H11NO/c1-12-8-10(13)7-11(12)9-5-3-2-4-6-9/h2-8,13H,1H3
InChIKeyCRQVPPWLYYBECR-UHFFFAOYSA-N
XLogP2.40
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-phenylpyrrol-3-ol?
The IUPAC name of 1-methyl-5-phenylpyrrol-3-ol (CID 21290942) is 1-methyl-5-phenylpyrrol-3-ol.
What is the SMILES notation for 1-methyl-5-phenylpyrrol-3-ol?
The canonical SMILES for 1-methyl-5-phenylpyrrol-3-ol is Cn1cc(O)cc1-c1ccccc1.
What is the InChIKey of 1-methyl-5-phenylpyrrol-3-ol?
The InChIKey is CRQVPPWLYYBECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-12-8-10(13)7-11(12)9-5-3-2-4-6-9/h2-8,13H,1H3.
What are the key properties of 1-methyl-5-phenylpyrrol-3-ol?
1-methyl-5-phenylpyrrol-3-ol has a molecular weight of 173.22 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-phenylpyrrol-3-ol is sourced from PubChem (CID 21290942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).