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

C7H11NO2 — CID 131176513

IUPAC(5R,8S)-5-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESO=C1CC[C@@H]2CC[C@@H](O)N12
InChIInChI=1S/C7H11NO2/c9-6-3-1-5-2-4-7(10)8(5)6/h5-6,9H,1-4H2/t5-,6+/m0/s1
InChIKeyDVXYURHYLCRZHR-NTSWFWBYSA-N
MW141.17 g/mol
LogP0.09
Rot. Bonds

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

(5R,8S)-5-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one (PubChem CID 131176513) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (5R,8S)-5-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one.

Molecular Properties

Compound Name(5R,8S)-5-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
PubChem CID131176513
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(5R,8S)-5-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESO=C1CC[C@@H]2CC[C@@H](O)N12
InChIInChI=1S/C7H11NO2/c9-6-3-1-5-2-4-7(10)8(5)6/h5-6,9H,1-4H2/t5-,6+/m0/s1
InChIKeyDVXYURHYLCRZHR-NTSWFWBYSA-N
XLogP0.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Pyrrolizin-1-one, 7-hydroxy-
CID 558383
(8R)-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 13546480
3H-Pyrrolizin-3-one, hexahydro-7a-hydroxy-
CID 11309562
1-(Hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 73028037
(7R,8S)-7-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 10749410
(1S,8S)-1-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 11040914
Pyrrolizidine-3-one-5-ol, ethyl ether
CID 544423
(1R,8S)-1-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 11607952
Pyrrolizidine-3-one, 5-hexyloxy-
CID 580146
3-(3-hydroxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizin-8-yl)propanal
CID 14433784
2-hydroxy-dihydro-1H-pyrrolizine-3,5(2H,6H)-dione
CID 13911561
5-hydroxy-8-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 14433781

Frequently Asked Questions

What is the IUPAC name of (5R,8S)-5-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The IUPAC name of (5R,8S)-5-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one (CID 131176513) is (5R,8S)-5-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one.
What is the SMILES notation for (5R,8S)-5-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The canonical SMILES for (5R,8S)-5-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one is O=C1CC[C@@H]2CC[C@@H](O)N12.
What is the InChIKey of (5R,8S)-5-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The InChIKey is DVXYURHYLCRZHR-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H11NO2/c9-6-3-1-5-2-4-7(10)8(5)6/h5-6,9H,1-4H2/t5-,6+/m0/s1.
What are the key properties of (5R,8S)-5-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
(5R,8S)-5-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one has a molecular weight of 141.17 g/mol, XLogP of 0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,8S)-5-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one is sourced from PubChem (CID 131176513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).