N-phenyl-3-oxa-6-azabicyclo[3.1.0]hexane-6-carboxamide

C11H12N2O2 — CID 121224830

IUPACN-phenyl-3-oxa-6-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESO=C(Nc1ccccc1)N1C2COCC21
InChIInChI=1S/C11H12N2O2/c14-11(12-8-4-2-1-3-5-8)13-9-6-15-7-10(9)13/h1-5,9-10H,6-7H2,(H,12,14)
InChIKeyNEHNVHAKMJYROA-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.30
Rot. Bonds1

About N-phenyl-3-oxa-6-azabicyclo[3.1.0]hexane-6-carboxamide

N-phenyl-3-oxa-6-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 121224830) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is N-phenyl-3-oxa-6-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-phenyl-3-oxa-6-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID121224830
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC NameN-phenyl-3-oxa-6-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESO=C(Nc1ccccc1)N1C2COCC21
InChIInChI=1S/C11H12N2O2/c14-11(12-8-4-2-1-3-5-8)13-9-6-15-7-10(9)13/h1-5,9-10H,6-7H2,(H,12,14)
InChIKeyNEHNVHAKMJYROA-UHFFFAOYSA-N
XLogP1.30
TPSA41.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-oxa-6-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-phenyl-3-oxa-6-azabicyclo[3.1.0]hexane-6-carboxamide (CID 121224830) is N-phenyl-3-oxa-6-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-phenyl-3-oxa-6-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-phenyl-3-oxa-6-azabicyclo[3.1.0]hexane-6-carboxamide is O=C(Nc1ccccc1)N1C2COCC21.
What is the InChIKey of N-phenyl-3-oxa-6-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is NEHNVHAKMJYROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c14-11(12-8-4-2-1-3-5-8)13-9-6-15-7-10(9)13/h1-5,9-10H,6-7H2,(H,12,14).
What are the key properties of N-phenyl-3-oxa-6-azabicyclo[3.1.0]hexane-6-carboxamide?
N-phenyl-3-oxa-6-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 204.23 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-oxa-6-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 121224830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).