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

C8H13NO — CID 10606815

IUPAC(7S,8S)-7-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESC[C@H]1CCN2C(=O)CC[C@@H]12
InChIInChI=1S/C8H13NO/c1-6-4-5-9-7(6)2-3-8(9)10/h6-7H,2-5H2,1H3/t6-,7-/m0/s1
InChIKeyXQRIFSFMAVSCKK-BQBZGAKWSA-N
MW139.20 g/mol
LogP1.02
Rot. Bonds

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

(7S,8S)-7-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one (PubChem CID 10606815) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (7S,8S)-7-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one.

Molecular Properties

Compound Name(7S,8S)-7-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
PubChem CID10606815
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(7S,8S)-7-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESC[C@H]1CCN2C(=O)CC[C@@H]12
InChIInChI=1S/C8H13NO/c1-6-4-5-9-7(6)2-3-8(9)10/h6-7H,2-5H2,1H3/t6-,7-/m0/s1
InChIKeyXQRIFSFMAVSCKK-BQBZGAKWSA-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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Frequently Asked Questions

What is the IUPAC name of (7S,8S)-7-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The IUPAC name of (7S,8S)-7-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one (CID 10606815) is (7S,8S)-7-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one.
What is the SMILES notation for (7S,8S)-7-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The canonical SMILES for (7S,8S)-7-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one is C[C@H]1CCN2C(=O)CC[C@@H]12.
What is the InChIKey of (7S,8S)-7-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The InChIKey is XQRIFSFMAVSCKK-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H13NO/c1-6-4-5-9-7(6)2-3-8(9)10/h6-7H,2-5H2,1H3/t6-,7-/m0/s1.
What are the key properties of (7S,8S)-7-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
(7S,8S)-7-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 (7S,8S)-7-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one is sourced from PubChem (CID 10606815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).