N,N,5,8,8-pentamethyl-2,4-dioxo-3-oxabicyclo[3.2.1]octane-1-carboxamide

C13H19NO4 — CID 4730749

IUPACN,N,5,8,8-pentamethyl-2,4-dioxo-3-oxabicyclo[3.2.1]octane-1-carboxamide
SMILESCN(C)C(=O)C12CCC(C)(C(=O)OC1=O)C2(C)C
InChIInChI=1S/C13H19NO4/c1-11(2)12(3)6-7-13(11,8(15)14(4)5)10(17)18-9(12)16/h6-7H2,1-5H3
InChIKeyLSNGZNHEEACLJA-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.97
Rot. Bonds1

About N,N,5,8,8-pentamethyl-2,4-dioxo-3-oxabicyclo[3.2.1]octane-1-carboxamide

N,N,5,8,8-pentamethyl-2,4-dioxo-3-oxabicyclo[3.2.1]octane-1-carboxamide (PubChem CID 4730749) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is N,N,5,8,8-pentamethyl-2,4-dioxo-3-oxabicyclo[3.2.1]octane-1-carboxamide.

Molecular Properties

Compound NameN,N,5,8,8-pentamethyl-2,4-dioxo-3-oxabicyclo[3.2.1]octane-1-carboxamide
PubChem CID4730749
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC NameN,N,5,8,8-pentamethyl-2,4-dioxo-3-oxabicyclo[3.2.1]octane-1-carboxamide
SMILESCN(C)C(=O)C12CCC(C)(C(=O)OC1=O)C2(C)C
InChIInChI=1S/C13H19NO4/c1-11(2)12(3)6-7-13(11,8(15)14(4)5)10(17)18-9(12)16/h6-7H2,1-5H3
InChIKeyLSNGZNHEEACLJA-UHFFFAOYSA-N
XLogP0.97
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N,5,8,8-pentamethyl-2,4-dioxo-3-oxabicyclo[3.2.1]octane-1-carboxamide?
The IUPAC name of N,N,5,8,8-pentamethyl-2,4-dioxo-3-oxabicyclo[3.2.1]octane-1-carboxamide (CID 4730749) is N,N,5,8,8-pentamethyl-2,4-dioxo-3-oxabicyclo[3.2.1]octane-1-carboxamide.
What is the SMILES notation for N,N,5,8,8-pentamethyl-2,4-dioxo-3-oxabicyclo[3.2.1]octane-1-carboxamide?
The canonical SMILES for N,N,5,8,8-pentamethyl-2,4-dioxo-3-oxabicyclo[3.2.1]octane-1-carboxamide is CN(C)C(=O)C12CCC(C)(C(=O)OC1=O)C2(C)C.
What is the InChIKey of N,N,5,8,8-pentamethyl-2,4-dioxo-3-oxabicyclo[3.2.1]octane-1-carboxamide?
The InChIKey is LSNGZNHEEACLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-11(2)12(3)6-7-13(11,8(15)14(4)5)10(17)18-9(12)16/h6-7H2,1-5H3.
What are the key properties of N,N,5,8,8-pentamethyl-2,4-dioxo-3-oxabicyclo[3.2.1]octane-1-carboxamide?
N,N,5,8,8-pentamethyl-2,4-dioxo-3-oxabicyclo[3.2.1]octane-1-carboxamide has a molecular weight of 253.30 g/mol, XLogP of 0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5,8,8-pentamethyl-2,4-dioxo-3-oxabicyclo[3.2.1]octane-1-carboxamide is sourced from PubChem (CID 4730749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).