(1S,8S)-8-hydroxy-5-oxo-2,3-dihydro-1H-pyrrolizine-1-carbonitrile

C8H8N2O2 — CID 10329626

IUPAC(1S,8S)-8-hydroxy-5-oxo-2,3-dihydro-1H-pyrrolizine-1-carbonitrile
SMILESN#C[C@@H]1CCN2C(=O)C=C[C@]12O
InChIInChI=1S/C8H8N2O2/c9-5-6-2-4-10-7(11)1-3-8(6,10)12/h1,3,6,12H,2,4H2/t6-,8-/m0/s1
InChIKeyRUUYSMAZDCYHGO-XPUUQOCRSA-N
MW164.16 g/mol
LogP-0.38
Rot. Bonds

About (1S,8S)-8-hydroxy-5-oxo-2,3-dihydro-1H-pyrrolizine-1-carbonitrile

(1S,8S)-8-hydroxy-5-oxo-2,3-dihydro-1H-pyrrolizine-1-carbonitrile (PubChem CID 10329626) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is (1S,8S)-8-hydroxy-5-oxo-2,3-dihydro-1H-pyrrolizine-1-carbonitrile.

Molecular Properties

Compound Name(1S,8S)-8-hydroxy-5-oxo-2,3-dihydro-1H-pyrrolizine-1-carbonitrile
PubChem CID10329626
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name(1S,8S)-8-hydroxy-5-oxo-2,3-dihydro-1H-pyrrolizine-1-carbonitrile
SMILESN#C[C@@H]1CCN2C(=O)C=C[C@]12O
InChIInChI=1S/C8H8N2O2/c9-5-6-2-4-10-7(11)1-3-8(6,10)12/h1,3,6,12H,2,4H2/t6-,8-/m0/s1
InChIKeyRUUYSMAZDCYHGO-XPUUQOCRSA-N
XLogP-0.38
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,8S)-8-hydroxy-5-oxo-2,3-dihydro-1H-pyrrolizine-1-carbonitrile?
The IUPAC name of (1S,8S)-8-hydroxy-5-oxo-2,3-dihydro-1H-pyrrolizine-1-carbonitrile (CID 10329626) is (1S,8S)-8-hydroxy-5-oxo-2,3-dihydro-1H-pyrrolizine-1-carbonitrile.
What is the SMILES notation for (1S,8S)-8-hydroxy-5-oxo-2,3-dihydro-1H-pyrrolizine-1-carbonitrile?
The canonical SMILES for (1S,8S)-8-hydroxy-5-oxo-2,3-dihydro-1H-pyrrolizine-1-carbonitrile is N#C[C@@H]1CCN2C(=O)C=C[C@]12O.
What is the InChIKey of (1S,8S)-8-hydroxy-5-oxo-2,3-dihydro-1H-pyrrolizine-1-carbonitrile?
The InChIKey is RUUYSMAZDCYHGO-XPUUQOCRSA-N. The full InChI is InChI=1S/C8H8N2O2/c9-5-6-2-4-10-7(11)1-3-8(6,10)12/h1,3,6,12H,2,4H2/t6-,8-/m0/s1.
What are the key properties of (1S,8S)-8-hydroxy-5-oxo-2,3-dihydro-1H-pyrrolizine-1-carbonitrile?
(1S,8S)-8-hydroxy-5-oxo-2,3-dihydro-1H-pyrrolizine-1-carbonitrile has a molecular weight of 164.16 g/mol, XLogP of -0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8S)-8-hydroxy-5-oxo-2,3-dihydro-1H-pyrrolizine-1-carbonitrile is sourced from PubChem (CID 10329626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).