2-acetyl-N-(2-oxoethyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide

C11H16N2O3 — CID 144871403

IUPAC2-acetyl-N-(2-oxoethyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide
SMILESCC(=O)N1C2CCC(C2)C1C(=O)NCC=O
InChIInChI=1S/C11H16N2O3/c1-7(15)13-9-3-2-8(6-9)10(13)11(16)12-4-5-14/h5,8-10H,2-4,6H2,1H3,(H,12,16)
InChIKeySKQQFYVRFBNMMO-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.30
Rot. Bonds3

About 2-acetyl-N-(2-oxoethyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide

2-acetyl-N-(2-oxoethyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide (PubChem CID 144871403) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-acetyl-N-(2-oxoethyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide.

Molecular Properties

Compound Name2-acetyl-N-(2-oxoethyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide
PubChem CID144871403
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-acetyl-N-(2-oxoethyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide
SMILESCC(=O)N1C2CCC(C2)C1C(=O)NCC=O
InChIInChI=1S/C11H16N2O3/c1-7(15)13-9-3-2-8(6-9)10(13)11(16)12-4-5-14/h5,8-10H,2-4,6H2,1H3,(H,12,16)
InChIKeySKQQFYVRFBNMMO-UHFFFAOYSA-N
XLogP-0.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-acetyl-N-(2-oxoethyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide?
The IUPAC name of 2-acetyl-N-(2-oxoethyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide (CID 144871403) is 2-acetyl-N-(2-oxoethyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide.
What is the SMILES notation for 2-acetyl-N-(2-oxoethyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide?
The canonical SMILES for 2-acetyl-N-(2-oxoethyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide is CC(=O)N1C2CCC(C2)C1C(=O)NCC=O.
What is the InChIKey of 2-acetyl-N-(2-oxoethyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide?
The InChIKey is SKQQFYVRFBNMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-7(15)13-9-3-2-8(6-9)10(13)11(16)12-4-5-14/h5,8-10H,2-4,6H2,1H3,(H,12,16).
What are the key properties of 2-acetyl-N-(2-oxoethyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide?
2-acetyl-N-(2-oxoethyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide has a molecular weight of 224.26 g/mol, XLogP of -0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-N-(2-oxoethyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide is sourced from PubChem (CID 144871403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).