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

C7H11NO3 — CID 10558872

IUPAC(1S,7R,8S)-1,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESO=C1C[C@H](O)[C@@H]2[C@H](O)CCN12
InChIInChI=1S/C7H11NO3/c9-4-1-2-8-6(11)3-5(10)7(4)8/h4-5,7,9-10H,1-3H2/t4-,5+,7+/m1/s1
InChIKeyJMPKNFCQJPWCHK-ZDLURKLDSA-N
MW157.17 g/mol
LogP-1.29
Rot. Bonds

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

(1S,7R,8S)-1,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one (PubChem CID 10558872) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is (1S,7R,8S)-1,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one.

Molecular Properties

Compound Name(1S,7R,8S)-1,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
PubChem CID10558872
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name(1S,7R,8S)-1,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESO=C1C[C@H](O)[C@@H]2[C@H](O)CCN12
InChIInChI=1S/C7H11NO3/c9-4-1-2-8-6(11)3-5(10)7(4)8/h4-5,7,9-10H,1-3H2/t4-,5+,7+/m1/s1
InChIKeyJMPKNFCQJPWCHK-ZDLURKLDSA-N
XLogP-1.29
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-Dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 44406623
(1R,8S)-1-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 402681
hydroxyhexahydro-3H-pyrrolizin-3-one
CID 13994056
(5R,6R,7S,8R)-6,7-dihydroxy-5-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 24851479
(1R,2S)-1,2-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 101844101
(8S)-1-hydroxy-2-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 134855970
(1S,5R,6R,7R,8R)-1,6,7-trihydroxy-5-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 134945357
(1R,3R,7R,7aS)-3-tert-butyl-7-hydroxy-1-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
CID 135029737
(1S,2R)-1-hydroxy-2-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 135036655
6-Hydroxy-5-(hydroxymethyl)tetrahydro-1h-pyrrolizin-3(2h)-one
CID 139953818
3H-Pyrrolizin-3-one,hexahydro-1-methoxy-,(1S-trans)-(9CI)
CID 10986479
(1R,7AS)-1-methoxytetrahydro-1H-pyrrolizin-3(2H)-one
CID 11137384

Frequently Asked Questions

What is the IUPAC name of (1S,7R,8S)-1,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The IUPAC name of (1S,7R,8S)-1,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one (CID 10558872) is (1S,7R,8S)-1,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one.
What is the SMILES notation for (1S,7R,8S)-1,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The canonical SMILES for (1S,7R,8S)-1,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one is O=C1C[C@H](O)[C@@H]2[C@H](O)CCN12.
What is the InChIKey of (1S,7R,8S)-1,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The InChIKey is JMPKNFCQJPWCHK-ZDLURKLDSA-N. The full InChI is InChI=1S/C7H11NO3/c9-4-1-2-8-6(11)3-5(10)7(4)8/h4-5,7,9-10H,1-3H2/t4-,5+,7+/m1/s1.
What are the key properties of (1S,7R,8S)-1,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
(1S,7R,8S)-1,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one has a molecular weight of 157.17 g/mol, XLogP of -1.29, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,7R,8S)-1,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one is sourced from PubChem (CID 10558872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).