(3S)-2,3-dihydro-1H-pyrrol-3-ol

C4H7NO — CID 142652205

IUPAC(3S)-2,3-dihydro-1H-pyrrol-3-ol
SMILESO[C@H]1C=CNC1
InChIInChI=1S/C4H7NO/c6-4-1-2-5-3-4/h1-2,4-6H,3H2/t4-/m0/s1
InChIKeyKBIJJDBUDCSTNL-BYPYZUCNSA-N
MW85.11 g/mol
LogP-0.54
Rot. Bonds

About (3S)-2,3-dihydro-1H-pyrrol-3-ol

(3S)-2,3-dihydro-1H-pyrrol-3-ol (PubChem CID 142652205) has the molecular formula C4H7NO and a molecular weight of 85.11 g/mol. Its IUPAC name is (3S)-2,3-dihydro-1H-pyrrol-3-ol.

Molecular Properties

Compound Name(3S)-2,3-dihydro-1H-pyrrol-3-ol
PubChem CID142652205
Molecular FormulaC4H7NO
Molecular Weight85.11 g/mol
Exact Mass85.05
IUPAC Name(3S)-2,3-dihydro-1H-pyrrol-3-ol
SMILESO[C@H]1C=CNC1
InChIInChI=1S/C4H7NO/c6-4-1-2-5-3-4/h1-2,4-6H,3H2/t4-/m0/s1
InChIKeyKBIJJDBUDCSTNL-BYPYZUCNSA-N
XLogP-0.54
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 ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-2,3-dihydro-1H-pyrrol-3-ol?
The IUPAC name of (3S)-2,3-dihydro-1H-pyrrol-3-ol (CID 142652205) is (3S)-2,3-dihydro-1H-pyrrol-3-ol.
What is the SMILES notation for (3S)-2,3-dihydro-1H-pyrrol-3-ol?
The canonical SMILES for (3S)-2,3-dihydro-1H-pyrrol-3-ol is O[C@H]1C=CNC1.
What is the InChIKey of (3S)-2,3-dihydro-1H-pyrrol-3-ol?
The InChIKey is KBIJJDBUDCSTNL-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H7NO/c6-4-1-2-5-3-4/h1-2,4-6H,3H2/t4-/m0/s1.
What are the key properties of (3S)-2,3-dihydro-1H-pyrrol-3-ol?
(3S)-2,3-dihydro-1H-pyrrol-3-ol has a molecular weight of 85.11 g/mol, XLogP of -0.54, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2,3-dihydro-1H-pyrrol-3-ol is sourced from PubChem (CID 142652205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).