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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Related Compounds

2-(cyclopropanecarbonyl)-N-methyl-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 167777866
tert-butyl (1R,3S)-3-(cyanomethylcarbamoyl)-2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 144701088
(3aS,7aS)-1-(2-methylpropanoyl)-N-(2-oxoethyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
CID 163254978
tert-butyl (3S,4S)-3-[(2-amino-2-oxoethyl)carbamoyl]-2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 144701100
methyl (3R)-2-acetyl-2-azabicyclo[2.1.1]hexane-3-carboxylate
CID 11252383
1-acetyl-N-(2-oxoethyl)pyrrolidine-2-carboxamide
CID 163643584
(1S,3S,4S)-2-N-ethyl-3-N-phenyl-2-azabicyclo[2.2.1]heptane-2,3-dicarboxamide
CID 124868392
ethyl (1S,3S,4S)-2-(ethylcarbamoyl)-2-azabicyclo[2.2.1]heptane-3-carboxylate
CID 51016810
(1S,3S,4S)-2-N-ethyl-3-N-[(4-fluorophenyl)methyl]-2-azabicyclo[2.2.1]heptane-2,3-dicarboxamide
CID 124735645
2-(cyclopropanecarbonyl)-N-(2-phenylethyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 86809220
2-azabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 18437279
(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)carbamic acid
CID 142736972

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).