(8S)-8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one

C8H13NO2 — CID 134715011

IUPAC(8S)-8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILESCO[C@]12CCCN1C(=O)CC2
InChIInChI=1S/C8H13NO2/c1-11-8-4-2-6-9(8)7(10)3-5-8/h2-6H2,1H3/t8-/m0/s1
InChIKeyGDAIAQLKZOBITI-QMMMGPOBSA-N
MW155.20 g/mol
LogP0.75
Rot. Bonds1

About (8S)-8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one

(8S)-8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (PubChem CID 134715011) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (8S)-8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.

Molecular Properties

Compound Name(8S)-8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
PubChem CID134715011
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(8S)-8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILESCO[C@]12CCCN1C(=O)CC2
InChIInChI=1S/C8H13NO2/c1-11-8-4-2-6-9(8)7(10)3-5-8/h2-6H2,1H3/t8-/m0/s1
InChIKeyGDAIAQLKZOBITI-QMMMGPOBSA-N
XLogP0.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8S)-8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The IUPAC name of (8S)-8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (CID 134715011) is (8S)-8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.
What is the SMILES notation for (8S)-8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The canonical SMILES for (8S)-8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is CO[C@]12CCCN1C(=O)CC2.
What is the InChIKey of (8S)-8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The InChIKey is GDAIAQLKZOBITI-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H13NO2/c1-11-8-4-2-6-9(8)7(10)3-5-8/h2-6H2,1H3/t8-/m0/s1.
What are the key properties of (8S)-8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
(8S)-8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one has a molecular weight of 155.20 g/mol, XLogP of 0.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is sourced from PubChem (CID 134715011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).