N,N,4,7,7-pentamethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide

C12H19NO3 — CID 2898065

IUPACN,N,4,7,7-pentamethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
SMILESCN(C)C(=O)C12CCC(C)(C(=O)O1)C2(C)C
InChIInChI=1S/C12H19NO3/c1-10(2)11(3)6-7-12(10,16-9(11)15)8(14)13(4)5/h6-7H2,1-5H3
InChIKeyAOETWRLEPSRHLG-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.20
Rot. Bonds1

About N,N,4,7,7-pentamethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide

N,N,4,7,7-pentamethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 2898065) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is N,N,4,7,7-pentamethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound NameN,N,4,7,7-pentamethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
PubChem CID2898065
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC NameN,N,4,7,7-pentamethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
SMILESCN(C)C(=O)C12CCC(C)(C(=O)O1)C2(C)C
InChIInChI=1S/C12H19NO3/c1-10(2)11(3)6-7-12(10,16-9(11)15)8(14)13(4)5/h6-7H2,1-5H3
InChIKeyAOETWRLEPSRHLG-UHFFFAOYSA-N
XLogP1.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N,4,7,7-pentamethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of N,N,4,7,7-pentamethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide (CID 2898065) is N,N,4,7,7-pentamethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for N,N,4,7,7-pentamethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for N,N,4,7,7-pentamethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide is CN(C)C(=O)C12CCC(C)(C(=O)O1)C2(C)C.
What is the InChIKey of N,N,4,7,7-pentamethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is AOETWRLEPSRHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-10(2)11(3)6-7-12(10,16-9(11)15)8(14)13(4)5/h6-7H2,1-5H3.
What are the key properties of N,N,4,7,7-pentamethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide?
N,N,4,7,7-pentamethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 225.29 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4,7,7-pentamethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 2898065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).