(5R)-6-hydroxy-1,6-diazabicyclo[3.2.1]oct-3-en-7-one

C6H8N2O2 — CID 142314329

IUPAC(5R)-6-hydroxy-1,6-diazabicyclo[3.2.1]oct-3-en-7-one
SMILESO=C1N2CC=C[C@H](C2)N1O
InChIInChI=1S/C6H8N2O2/c9-6-7-3-1-2-5(4-7)8(6)10/h1-2,5,10H,3-4H2/t5-/m1/s1
InChIKeyMFXSIGKELMVAAS-RXMQYKEDSA-N
MW140.14 g/mol
LogP0.05
Rot. Bonds

About (5R)-6-hydroxy-1,6-diazabicyclo[3.2.1]oct-3-en-7-one

(5R)-6-hydroxy-1,6-diazabicyclo[3.2.1]oct-3-en-7-one (PubChem CID 142314329) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is (5R)-6-hydroxy-1,6-diazabicyclo[3.2.1]oct-3-en-7-one.

Molecular Properties

Compound Name(5R)-6-hydroxy-1,6-diazabicyclo[3.2.1]oct-3-en-7-one
PubChem CID142314329
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name(5R)-6-hydroxy-1,6-diazabicyclo[3.2.1]oct-3-en-7-one
SMILESO=C1N2CC=C[C@H](C2)N1O
InChIInChI=1S/C6H8N2O2/c9-6-7-3-1-2-5(4-7)8(6)10/h1-2,5,10H,3-4H2/t5-/m1/s1
InChIKeyMFXSIGKELMVAAS-RXMQYKEDSA-N
XLogP0.05
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-hydroxy-3-(2H-pyridin-1-yl)-1,6-diazabicyclo[3.2.1]oct-3-en-7-one
CID 172833223
6-hydroxy-3-(2-methylhydrazinyl)-1,6-diazabicyclo[3.2.1]oct-3-en-7-one
CID 167112477
(3aR,8aS,9aR)-2,2-dimethyl-6,8a,9,9a-tetrahydro-3aH-[1,3]dioxolo[4,5-f]indolizin-4-one
CID 10375801
(4S,9aS)-4,6,9,9a-tetrahydro-3H-quinolizine-4-carboxylic acid
CID 101200406
benzyl (3S,8S)-2,3,5,8-tetrahydro-1H-pyrrolizine-3-carboxylate
CID 102036672
5,6,6a,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
CID 23574486
(4R,9aS)-4-(2-hydroxyethyl)-1,3,4,6,7,9a-hexahydroquinolizin-2-one
CID 102077042
1,4,6,6a,9,11a-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
CID 57158384
1-iodo-2,5-dihydropyrrole-2-carboxylic acid
CID 174706654
1-hydroxy-2H-azepin-7-one
CID 70235736
(9aR)-3,6,9,9a-tetrahydroquinolizin-4-one
CID 122205839
6-hydroxy-3-[4-(2-propoxyacetyl)triazol-1-yl]-1,6-diazabicyclo[3.2.1]oct-3-en-7-one
CID 160828648

Frequently Asked Questions

What is the IUPAC name of (5R)-6-hydroxy-1,6-diazabicyclo[3.2.1]oct-3-en-7-one?
The IUPAC name of (5R)-6-hydroxy-1,6-diazabicyclo[3.2.1]oct-3-en-7-one (CID 142314329) is (5R)-6-hydroxy-1,6-diazabicyclo[3.2.1]oct-3-en-7-one.
What is the SMILES notation for (5R)-6-hydroxy-1,6-diazabicyclo[3.2.1]oct-3-en-7-one?
The canonical SMILES for (5R)-6-hydroxy-1,6-diazabicyclo[3.2.1]oct-3-en-7-one is O=C1N2CC=C[C@H](C2)N1O.
What is the InChIKey of (5R)-6-hydroxy-1,6-diazabicyclo[3.2.1]oct-3-en-7-one?
The InChIKey is MFXSIGKELMVAAS-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H8N2O2/c9-6-7-3-1-2-5(4-7)8(6)10/h1-2,5,10H,3-4H2/t5-/m1/s1.
What are the key properties of (5R)-6-hydroxy-1,6-diazabicyclo[3.2.1]oct-3-en-7-one?
(5R)-6-hydroxy-1,6-diazabicyclo[3.2.1]oct-3-en-7-one has a molecular weight of 140.14 g/mol, XLogP of 0.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-6-hydroxy-1,6-diazabicyclo[3.2.1]oct-3-en-7-one is sourced from PubChem (CID 142314329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).