2,3-dihydro-1H-pyrrol-4-ol

C4H7NO — CID 67212247

IUPAC2,3-dihydro-1H-pyrrol-4-ol
SMILESOC1=CNCC1
InChIInChI=1S/C4H7NO/c6-4-1-2-5-3-4/h3,5-6H,1-2H2
InChIKeyQZNYCEXVMZICAW-UHFFFAOYSA-N
MW85.11 g/mol
LogP0.38
Rot. Bonds

About 2,3-dihydro-1H-pyrrol-4-ol

2,3-dihydro-1H-pyrrol-4-ol (PubChem CID 67212247) has the molecular formula C4H7NO and a molecular weight of 85.11 g/mol. Its IUPAC name is 2,3-dihydro-1H-pyrrol-4-ol.

Molecular Properties

Compound Name2,3-dihydro-1H-pyrrol-4-ol
PubChem CID67212247
Molecular FormulaC4H7NO
Molecular Weight85.11 g/mol
Exact Mass85.05
IUPAC Name2,3-dihydro-1H-pyrrol-4-ol
SMILESOC1=CNCC1
InChIInChI=1S/C4H7NO/c6-4-1-2-5-3-4/h3,5-6H,1-2H2
InChIKeyQZNYCEXVMZICAW-UHFFFAOYSA-N
XLogP0.38
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.11
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-pyrrol-4-ol?
The IUPAC name of 2,3-dihydro-1H-pyrrol-4-ol (CID 67212247) is 2,3-dihydro-1H-pyrrol-4-ol.
What is the SMILES notation for 2,3-dihydro-1H-pyrrol-4-ol?
The canonical SMILES for 2,3-dihydro-1H-pyrrol-4-ol is OC1=CNCC1.
What is the InChIKey of 2,3-dihydro-1H-pyrrol-4-ol?
The InChIKey is QZNYCEXVMZICAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO/c6-4-1-2-5-3-4/h3,5-6H,1-2H2.
What are the key properties of 2,3-dihydro-1H-pyrrol-4-ol?
2,3-dihydro-1H-pyrrol-4-ol has a molecular weight of 85.11 g/mol, XLogP of 0.38, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-pyrrol-4-ol is sourced from PubChem (CID 67212247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).