(1R,2R,4S,5S)-2,4-bis(ethenyl)-6-azabicyclo[3.2.0]heptan-7-one

C10H13NO — CID 132573840

IUPAC(1R,2R,4S,5S)-2,4-bis(ethenyl)-6-azabicyclo[3.2.0]heptan-7-one
SMILESC=C[C@@H]1C[C@H](C=C)[C@H]2C(=O)N[C@H]21
InChIInChI=1S/C10H13NO/c1-3-6-5-7(4-2)9-8(6)10(12)11-9/h3-4,6-9H,1-2,5H2,(H,11,12)/t6-,7+,8+,9-/m0/s1
InChIKeyIAFBSNIUXWASFM-KDXUFGMBSA-N
MW163.22 g/mol
LogP1.11
Rot. Bonds2

About (1R,2R,4S,5S)-2,4-bis(ethenyl)-6-azabicyclo[3.2.0]heptan-7-one

(1R,2R,4S,5S)-2,4-bis(ethenyl)-6-azabicyclo[3.2.0]heptan-7-one (PubChem CID 132573840) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (1R,2R,4S,5S)-2,4-bis(ethenyl)-6-azabicyclo[3.2.0]heptan-7-one.

Molecular Properties

Compound Name(1R,2R,4S,5S)-2,4-bis(ethenyl)-6-azabicyclo[3.2.0]heptan-7-one
PubChem CID132573840
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(1R,2R,4S,5S)-2,4-bis(ethenyl)-6-azabicyclo[3.2.0]heptan-7-one
SMILESC=C[C@@H]1C[C@H](C=C)[C@H]2C(=O)N[C@H]21
InChIInChI=1S/C10H13NO/c1-3-6-5-7(4-2)9-8(6)10(12)11-9/h3-4,6-9H,1-2,5H2,(H,11,12)/t6-,7+,8+,9-/m0/s1
InChIKeyIAFBSNIUXWASFM-KDXUFGMBSA-N
XLogP1.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,2R,4S,5S)-2,4-bis(ethenyl)-6-azabicyclo[3.2.0]heptan-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S,5S)-2,4-bis(ethenyl)-6-azabicyclo[3.2.0]heptan-7-one?
The IUPAC name of (1R,2R,4S,5S)-2,4-bis(ethenyl)-6-azabicyclo[3.2.0]heptan-7-one (CID 132573840) is (1R,2R,4S,5S)-2,4-bis(ethenyl)-6-azabicyclo[3.2.0]heptan-7-one.
What is the SMILES notation for (1R,2R,4S,5S)-2,4-bis(ethenyl)-6-azabicyclo[3.2.0]heptan-7-one?
The canonical SMILES for (1R,2R,4S,5S)-2,4-bis(ethenyl)-6-azabicyclo[3.2.0]heptan-7-one is C=C[C@@H]1C[C@H](C=C)[C@H]2C(=O)N[C@H]21.
What is the InChIKey of (1R,2R,4S,5S)-2,4-bis(ethenyl)-6-azabicyclo[3.2.0]heptan-7-one?
The InChIKey is IAFBSNIUXWASFM-KDXUFGMBSA-N. The full InChI is InChI=1S/C10H13NO/c1-3-6-5-7(4-2)9-8(6)10(12)11-9/h3-4,6-9H,1-2,5H2,(H,11,12)/t6-,7+,8+,9-/m0/s1.
What are the key properties of (1R,2R,4S,5S)-2,4-bis(ethenyl)-6-azabicyclo[3.2.0]heptan-7-one?
(1R,2R,4S,5S)-2,4-bis(ethenyl)-6-azabicyclo[3.2.0]heptan-7-one has a molecular weight of 163.22 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S,5S)-2,4-bis(ethenyl)-6-azabicyclo[3.2.0]heptan-7-one is sourced from PubChem (CID 132573840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).