2,5-dihydro-1H-pyrrol-3-ylmethanol

C5H9NO — CID 54510058

IUPAC2,5-dihydro-1H-pyrrol-3-ylmethanol
SMILESOCC1=CCNC1
InChIInChI=1S/C5H9NO/c7-4-5-1-2-6-3-5/h1,6-7H,2-4H2
InChIKeyYILYZWYLIMDRKH-UHFFFAOYSA-N
MW99.13 g/mol
LogP-0.49
Rot. Bonds1

About 2,5-dihydro-1H-pyrrol-3-ylmethanol

2,5-dihydro-1H-pyrrol-3-ylmethanol (PubChem CID 54510058) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 2,5-dihydro-1H-pyrrol-3-ylmethanol.

Molecular Properties

Compound Name2,5-dihydro-1H-pyrrol-3-ylmethanol
PubChem CID54510058
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name2,5-dihydro-1H-pyrrol-3-ylmethanol
SMILESOCC1=CCNC1
InChIInChI=1S/C5H9NO/c7-4-5-1-2-6-3-5/h1,6-7H,2-4H2
InChIKeyYILYZWYLIMDRKH-UHFFFAOYSA-N
XLogP-0.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dihydro-1H-pyrrol-3-ylmethanol?
The IUPAC name of 2,5-dihydro-1H-pyrrol-3-ylmethanol (CID 54510058) is 2,5-dihydro-1H-pyrrol-3-ylmethanol.
What is the SMILES notation for 2,5-dihydro-1H-pyrrol-3-ylmethanol?
The canonical SMILES for 2,5-dihydro-1H-pyrrol-3-ylmethanol is OCC1=CCNC1.
What is the InChIKey of 2,5-dihydro-1H-pyrrol-3-ylmethanol?
The InChIKey is YILYZWYLIMDRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c7-4-5-1-2-6-3-5/h1,6-7H,2-4H2.
What are the key properties of 2,5-dihydro-1H-pyrrol-3-ylmethanol?
2,5-dihydro-1H-pyrrol-3-ylmethanol has a molecular weight of 99.13 g/mol, XLogP of -0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydro-1H-pyrrol-3-ylmethanol is sourced from PubChem (CID 54510058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).