(1R,5R)-6-(hydroxymethyl)-3-azabicyclo[3.2.0]hept-6-ene-2,4-dione

C7H7NO3 — CID 93497495

IUPAC(1R,5R)-6-(hydroxymethyl)-3-azabicyclo[3.2.0]hept-6-ene-2,4-dione
SMILESO=C1NC(=O)[C@@H]2C=C(CO)[C@H]12
InChIInChI=1S/C7H7NO3/c9-2-3-1-4-5(3)7(11)8-6(4)10/h1,4-5,9H,2H2,(H,8,10,11)/t4-,5+/m1/s1
InChIKeyVWYPPACEJLSUBL-UHNVWZDZSA-N
MW153.14 g/mol
LogP-1.19
Rot. Bonds1

About (1R,5R)-6-(hydroxymethyl)-3-azabicyclo[3.2.0]hept-6-ene-2,4-dione

(1R,5R)-6-(hydroxymethyl)-3-azabicyclo[3.2.0]hept-6-ene-2,4-dione (PubChem CID 93497495) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is (1R,5R)-6-(hydroxymethyl)-3-azabicyclo[3.2.0]hept-6-ene-2,4-dione.

Molecular Properties

Compound Name(1R,5R)-6-(hydroxymethyl)-3-azabicyclo[3.2.0]hept-6-ene-2,4-dione
PubChem CID93497495
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name(1R,5R)-6-(hydroxymethyl)-3-azabicyclo[3.2.0]hept-6-ene-2,4-dione
SMILESO=C1NC(=O)[C@@H]2C=C(CO)[C@H]12
InChIInChI=1S/C7H7NO3/c9-2-3-1-4-5(3)7(11)8-6(4)10/h1,4-5,9H,2H2,(H,8,10,11)/t4-,5+/m1/s1
InChIKeyVWYPPACEJLSUBL-UHNVWZDZSA-N
XLogP-1.19
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R,5R)-6-(hydroxymethyl)-3-methyl-3-azabicyclo[3.2.0]hept-6-ene-2,4-dione
CID 164670478
6-(Hydroxymethyl)-3-azabicyclo[3.2.0]hept-6-ene-2,4-dione
CID 15448565
6-(2-Hydroxyethyl)-3-azabicyclo[3.2.0]hept-6-ene-2,4-dione
CID 130123507

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-6-(hydroxymethyl)-3-azabicyclo[3.2.0]hept-6-ene-2,4-dione?
The IUPAC name of (1R,5R)-6-(hydroxymethyl)-3-azabicyclo[3.2.0]hept-6-ene-2,4-dione (CID 93497495) is (1R,5R)-6-(hydroxymethyl)-3-azabicyclo[3.2.0]hept-6-ene-2,4-dione.
What is the SMILES notation for (1R,5R)-6-(hydroxymethyl)-3-azabicyclo[3.2.0]hept-6-ene-2,4-dione?
The canonical SMILES for (1R,5R)-6-(hydroxymethyl)-3-azabicyclo[3.2.0]hept-6-ene-2,4-dione is O=C1NC(=O)[C@@H]2C=C(CO)[C@H]12.
What is the InChIKey of (1R,5R)-6-(hydroxymethyl)-3-azabicyclo[3.2.0]hept-6-ene-2,4-dione?
The InChIKey is VWYPPACEJLSUBL-UHNVWZDZSA-N. The full InChI is InChI=1S/C7H7NO3/c9-2-3-1-4-5(3)7(11)8-6(4)10/h1,4-5,9H,2H2,(H,8,10,11)/t4-,5+/m1/s1.
What are the key properties of (1R,5R)-6-(hydroxymethyl)-3-azabicyclo[3.2.0]hept-6-ene-2,4-dione?
(1R,5R)-6-(hydroxymethyl)-3-azabicyclo[3.2.0]hept-6-ene-2,4-dione has a molecular weight of 153.14 g/mol, XLogP of -1.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-6-(hydroxymethyl)-3-azabicyclo[3.2.0]hept-6-ene-2,4-dione is sourced from PubChem (CID 93497495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).