2H-pyrrol-4-ylmethanol

C5H7NO — CID 154287771

IUPAC2H-pyrrol-4-ylmethanol
SMILESOCC1=CCN=C1
InChIInChI=1S/C5H7NO/c7-4-5-1-2-6-3-5/h1,3,7H,2,4H2
InChIKeyZMISGYIPABAEPM-UHFFFAOYSA-N
MW97.12 g/mol
LogP-0.01
Rot. Bonds1

About 2H-pyrrol-4-ylmethanol

2H-pyrrol-4-ylmethanol (PubChem CID 154287771) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is 2H-pyrrol-4-ylmethanol.

Molecular Properties

Compound Name2H-pyrrol-4-ylmethanol
PubChem CID154287771
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC Name2H-pyrrol-4-ylmethanol
SMILESOCC1=CCN=C1
InChIInChI=1S/C5H7NO/c7-4-5-1-2-6-3-5/h1,3,7H,2,4H2
InChIKeyZMISGYIPABAEPM-UHFFFAOYSA-N
XLogP-0.01
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-pyrrol-4-ylmethanol?
The IUPAC name of 2H-pyrrol-4-ylmethanol (CID 154287771) is 2H-pyrrol-4-ylmethanol.
What is the SMILES notation for 2H-pyrrol-4-ylmethanol?
The canonical SMILES for 2H-pyrrol-4-ylmethanol is OCC1=CCN=C1.
What is the InChIKey of 2H-pyrrol-4-ylmethanol?
The InChIKey is ZMISGYIPABAEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO/c7-4-5-1-2-6-3-5/h1,3,7H,2,4H2.
What are the key properties of 2H-pyrrol-4-ylmethanol?
2H-pyrrol-4-ylmethanol has a molecular weight of 97.12 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyrrol-4-ylmethanol is sourced from PubChem (CID 154287771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).