8-prop-2-enyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-3-ol

C10H9NO — CID 123822621

IUPAC8-prop-2-enyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-3-ol
SMILESC=CCC1=c2cc(O)ccc2=N1
InChIInChI=1S/C10H9NO/c1-2-3-9-8-6-7(12)4-5-10(8)11-9/h2,4-6,12H,1,3H2
InChIKeyDQMBUQZFKNHUJP-UHFFFAOYSA-N
MW159.19 g/mol
LogP0.71
Rot. Bonds2

About 8-prop-2-enyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-3-ol

8-prop-2-enyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-3-ol (PubChem CID 123822621) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 8-prop-2-enyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-3-ol.

Molecular Properties

Compound Name8-prop-2-enyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-3-ol
PubChem CID123822621
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name8-prop-2-enyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-3-ol
SMILESC=CCC1=c2cc(O)ccc2=N1
InChIInChI=1S/C10H9NO/c1-2-3-9-8-6-7(12)4-5-10(8)11-9/h2,4-6,12H,1,3H2
InChIKeyDQMBUQZFKNHUJP-UHFFFAOYSA-N
XLogP0.71
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-prop-2-enyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-3-ol?
The IUPAC name of 8-prop-2-enyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-3-ol (CID 123822621) is 8-prop-2-enyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-3-ol.
What is the SMILES notation for 8-prop-2-enyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-3-ol?
The canonical SMILES for 8-prop-2-enyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-3-ol is C=CCC1=c2cc(O)ccc2=N1.
What is the InChIKey of 8-prop-2-enyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-3-ol?
The InChIKey is DQMBUQZFKNHUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c1-2-3-9-8-6-7(12)4-5-10(8)11-9/h2,4-6,12H,1,3H2.
What are the key properties of 8-prop-2-enyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-3-ol?
8-prop-2-enyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-3-ol has a molecular weight of 159.19 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-prop-2-enyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-3-ol is sourced from PubChem (CID 123822621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).