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

C8H13NO2 — CID 15102594

IUPAC(8R)-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-/m1/s1
InChIKeyGDAIAQLKZOBITI-MRVPVSSYSA-N
MW155.20 g/mol
LogP0.75
Rot. Bonds1

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

(8R)-8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (PubChem CID 15102594) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (8R)-8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.

Molecular Properties

Compound Name(8R)-8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
PubChem CID15102594
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(8R)-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-/m1/s1
InChIKeyGDAIAQLKZOBITI-MRVPVSSYSA-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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Related Compounds

Pyrrolam B
CID 11435063
(8R)-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 13546480
(8R)-8-[(1S)-1-ethoxyethoxy]-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 162968119
3H-Pyrrolizin-3-one, hexahydro-7a-hydroxy-
CID 11309562
(8S)-8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 134715011
Pyrrolizidine-3-one-5-ol, ethyl ether
CID 544423
Pyrrolizidine-3-one, 5-acetylmethyl-
CID 539626
5-Methoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 20682627
8-(1-ethoxyethoxy)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 15102596
7a-Ethyltetrahydropyrrolo[2,1-b][1,3]oxazol-5(6H)-one
CID 15930889
7a-Ethoxy-7,7-dimethylhexahydro-3H-pyrrolizin-3-one
CID 45091603
8-(propan-2-yloxymethoxy)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 162987953

Frequently Asked Questions

What is the IUPAC name of (8R)-8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The IUPAC name of (8R)-8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (CID 15102594) is (8R)-8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.
What is the SMILES notation for (8R)-8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The canonical SMILES for (8R)-8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is CO[C@@]12CCCN1C(=O)CC2.
What is the InChIKey of (8R)-8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The InChIKey is GDAIAQLKZOBITI-MRVPVSSYSA-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-/m1/s1.
What are the key properties of (8R)-8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
(8R)-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 (8R)-8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is sourced from PubChem (CID 15102594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).