(1R)-1-ethenyl-3-ethyl-2-oxa-5-azabicyclo[2.2.1]heptane

C9H15NO — CID 166961531

IUPAC(1R)-1-ethenyl-3-ethyl-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESC=C[C@@]12CNC(C1)C(CC)O2
InChIInChI=1S/C9H15NO/c1-3-8-7-5-9(4-2,11-8)6-10-7/h4,7-8,10H,2-3,5-6H2,1H3/t7?,8?,9-/m0/s1
InChIKeyCVKBXBIMRKJWCE-HACHORDNSA-N
MW153.22 g/mol
LogP1.08
Rot. Bonds2

About (1R)-1-ethenyl-3-ethyl-2-oxa-5-azabicyclo[2.2.1]heptane

(1R)-1-ethenyl-3-ethyl-2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 166961531) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (1R)-1-ethenyl-3-ethyl-2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R)-1-ethenyl-3-ethyl-2-oxa-5-azabicyclo[2.2.1]heptane
PubChem CID166961531
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(1R)-1-ethenyl-3-ethyl-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESC=C[C@@]12CNC(C1)C(CC)O2
InChIInChI=1S/C9H15NO/c1-3-8-7-5-9(4-2,11-8)6-10-7/h4,7-8,10H,2-3,5-6H2,1H3/t7?,8?,9-/m0/s1
InChIKeyCVKBXBIMRKJWCE-HACHORDNSA-N
XLogP1.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.08
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 (1R)-1-ethenyl-3-ethyl-2-oxa-5-azabicyclo[2.2.1]heptane?
The IUPAC name of (1R)-1-ethenyl-3-ethyl-2-oxa-5-azabicyclo[2.2.1]heptane (CID 166961531) is (1R)-1-ethenyl-3-ethyl-2-oxa-5-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (1R)-1-ethenyl-3-ethyl-2-oxa-5-azabicyclo[2.2.1]heptane?
The canonical SMILES for (1R)-1-ethenyl-3-ethyl-2-oxa-5-azabicyclo[2.2.1]heptane is C=C[C@@]12CNC(C1)C(CC)O2.
What is the InChIKey of (1R)-1-ethenyl-3-ethyl-2-oxa-5-azabicyclo[2.2.1]heptane?
The InChIKey is CVKBXBIMRKJWCE-HACHORDNSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-8-7-5-9(4-2,11-8)6-10-7/h4,7-8,10H,2-3,5-6H2,1H3/t7?,8?,9-/m0/s1.
What are the key properties of (1R)-1-ethenyl-3-ethyl-2-oxa-5-azabicyclo[2.2.1]heptane?
(1R)-1-ethenyl-3-ethyl-2-oxa-5-azabicyclo[2.2.1]heptane has a molecular weight of 153.22 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-ethenyl-3-ethyl-2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 166961531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).