(7R,8R)-7-methoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one

C8H13NO2 — CID 44512740

IUPAC(7R,8R)-7-methoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESCO[C@@H]1CCN2C(=O)CC[C@H]12
InChIInChI=1S/C8H13NO2/c1-11-7-4-5-9-6(7)2-3-8(9)10/h6-7H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyIVXGWOQPIUOVBX-RNFRBKRXSA-N
MW155.20 g/mol
LogP0.40
Rot. Bonds1

About (7R,8R)-7-methoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one

(7R,8R)-7-methoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one (PubChem CID 44512740) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (7R,8R)-7-methoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one.

Molecular Properties

Compound Name(7R,8R)-7-methoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
PubChem CID44512740
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(7R,8R)-7-methoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESCO[C@@H]1CCN2C(=O)CC[C@H]12
InChIInChI=1S/C8H13NO2/c1-11-7-4-5-9-6(7)2-3-8(9)10/h6-7H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyIVXGWOQPIUOVBX-RNFRBKRXSA-N
XLogP0.40
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 ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-3,3-Dimethyltetrahydropyrrolo[1,2-c]oxazol-5(3H)-one
CID 10898929
(7aS)-3,3-dimethyl-hexahydropyrrolo(1,2-c)(1,3)oxazol-5-one
CID 13746928
(6S)-6-fluoro-1,3,3-trimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 129207980
(7aS)-6-fluoro-1,3,3-trimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 175955156
1-Ethyl-6-fluoro-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 176653336
(1S,2R,8S)-1-methoxy-2-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 45089001
(1S,2S,8S)-1-methoxy-2-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 134855933
(1S,7R,8S)-1,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 10558872
3H-Pyrrolizin-3-one,hexahydro-1-methoxy-,(1S-trans)-(9CI)
CID 10986479
(1R,7AS)-1-methoxytetrahydro-1H-pyrrolizin-3(2H)-one
CID 11137384
3H,5H-Pyrrolo[1,2-c]oxazol-5-one, tetrahydro-3,3-dimethyl-, (R)-
CID 13746929
1-Methoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 20621358

Frequently Asked Questions

What is the IUPAC name of (7R,8R)-7-methoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The IUPAC name of (7R,8R)-7-methoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one (CID 44512740) is (7R,8R)-7-methoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one.
What is the SMILES notation for (7R,8R)-7-methoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The canonical SMILES for (7R,8R)-7-methoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one is CO[C@@H]1CCN2C(=O)CC[C@H]12.
What is the InChIKey of (7R,8R)-7-methoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The InChIKey is IVXGWOQPIUOVBX-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H13NO2/c1-11-7-4-5-9-6(7)2-3-8(9)10/h6-7H,2-5H2,1H3/t6-,7-/m1/s1.
What are the key properties of (7R,8R)-7-methoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
(7R,8R)-7-methoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one has a molecular weight of 155.20 g/mol, XLogP of 0.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8R)-7-methoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one is sourced from PubChem (CID 44512740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).