N-tert-butyl-3-oxatricyclo[3.2.1.02,4]octane-6-carboxamide

C12H19NO2 — CID 58264639

IUPACN-tert-butyl-3-oxatricyclo[3.2.1.02,4]octane-6-carboxamide
SMILESCC(C)(C)NC(=O)C1CC2CC1C1OC21
InChIInChI=1S/C12H19NO2/c1-12(2,3)13-11(14)8-5-6-4-7(8)10-9(6)15-10/h6-10H,4-5H2,1-3H3,(H,13,14)
InChIKeyNEQQZHSHLRPULG-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.32
Rot. Bonds1

About N-tert-butyl-3-oxatricyclo[3.2.1.02,4]octane-6-carboxamide

N-tert-butyl-3-oxatricyclo[3.2.1.02,4]octane-6-carboxamide (PubChem CID 58264639) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is N-tert-butyl-3-oxatricyclo[3.2.1.02,4]octane-6-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-oxatricyclo[3.2.1.02,4]octane-6-carboxamide
PubChem CID58264639
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC NameN-tert-butyl-3-oxatricyclo[3.2.1.02,4]octane-6-carboxamide
SMILESCC(C)(C)NC(=O)C1CC2CC1C1OC21
InChIInChI=1S/C12H19NO2/c1-12(2,3)13-11(14)8-5-6-4-7(8)10-9(6)15-10/h6-10H,4-5H2,1-3H3,(H,13,14)
InChIKeyNEQQZHSHLRPULG-UHFFFAOYSA-N
XLogP1.32
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.32
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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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-oxatricyclo[3.2.1.02,4]octane-6-carboxamide?
The IUPAC name of N-tert-butyl-3-oxatricyclo[3.2.1.02,4]octane-6-carboxamide (CID 58264639) is N-tert-butyl-3-oxatricyclo[3.2.1.02,4]octane-6-carboxamide.
What is the SMILES notation for N-tert-butyl-3-oxatricyclo[3.2.1.02,4]octane-6-carboxamide?
The canonical SMILES for N-tert-butyl-3-oxatricyclo[3.2.1.02,4]octane-6-carboxamide is CC(C)(C)NC(=O)C1CC2CC1C1OC21.
What is the InChIKey of N-tert-butyl-3-oxatricyclo[3.2.1.02,4]octane-6-carboxamide?
The InChIKey is NEQQZHSHLRPULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-12(2,3)13-11(14)8-5-6-4-7(8)10-9(6)15-10/h6-10H,4-5H2,1-3H3,(H,13,14).
What are the key properties of N-tert-butyl-3-oxatricyclo[3.2.1.02,4]octane-6-carboxamide?
N-tert-butyl-3-oxatricyclo[3.2.1.02,4]octane-6-carboxamide has a molecular weight of 209.29 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-oxatricyclo[3.2.1.02,4]octane-6-carboxamide is sourced from PubChem (CID 58264639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).