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

C8H13NO — CID 10898791

IUPAC(1R,8S)-1-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESC[C@@H]1CC(=O)N2CCC[C@@H]12
InChIInChI=1S/C8H13NO/c1-6-5-8(10)9-4-2-3-7(6)9/h6-7H,2-5H2,1H3/t6-,7+/m1/s1
InChIKeyXTFBZBQZGKHCEZ-RQJHMYQMSA-N
MW139.20 g/mol
LogP1.02
Rot. Bonds

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

(1R,8S)-1-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one (PubChem CID 10898791) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (1R,8S)-1-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one.

Molecular Properties

Compound Name(1R,8S)-1-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
PubChem CID10898791
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(1R,8S)-1-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESC[C@@H]1CC(=O)N2CCC[C@@H]12
InChIInChI=1S/C8H13NO/c1-6-5-8(10)9-4-2-3-7(6)9/h6-7H,2-5H2,1H3/t6-,7+/m1/s1
InChIKeyXTFBZBQZGKHCEZ-RQJHMYQMSA-N
XLogP1.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-2,6,7,8-tetrahydro-1H-pyrrolizine-3,5-dione
CID 44364544
2,6-dimethyldihydro-1H-pyrrolo[1,2-a]pyrrole-3,5(2H,6H)-dione
CID 44364545
Hexahydro-pyrrolizin-3-one
CID 566402
(1S,8S)-1-(trifluoromethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 134943080
(7S,8S)-7-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 10606815
(S)-Tetrahydro-1H-pyrrolizin-3(2H)-one
CID 13546479
(1S,8S)-1-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 10997108
(3aR,6aR)-1-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-one
CID 11789281
8-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 15716847
(8S)-6-fluoro-1,2-dimethyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 58473087
(8S)-6-fluoro-1,2,6-trimethyl-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one
CID 58473184
(8S)-6,6-difluoro-1,2-dimethyl-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one
CID 89840516

Frequently Asked Questions

What is the IUPAC name of (1R,8S)-1-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The IUPAC name of (1R,8S)-1-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one (CID 10898791) is (1R,8S)-1-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one.
What is the SMILES notation for (1R,8S)-1-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The canonical SMILES for (1R,8S)-1-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one is C[C@@H]1CC(=O)N2CCC[C@@H]12.
What is the InChIKey of (1R,8S)-1-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The InChIKey is XTFBZBQZGKHCEZ-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H13NO/c1-6-5-8(10)9-4-2-3-7(6)9/h6-7H,2-5H2,1H3/t6-,7+/m1/s1.
What are the key properties of (1R,8S)-1-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
(1R,8S)-1-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one has a molecular weight of 139.20 g/mol, XLogP of 1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8S)-1-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one is sourced from PubChem (CID 10898791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).