4-acetyl-N-tert-butyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide

C16H24N2O2 — CID 75251149

IUPAC4-acetyl-N-tert-butyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide
SMILESCC(=O)N1CC2C3C=CC(C3)C2C1C(=O)NC(C)(C)C
InChIInChI=1S/C16H24N2O2/c1-9(19)18-8-12-10-5-6-11(7-10)13(12)14(18)15(20)17-16(2,3)4/h5-6,10-14H,7-8H2,1-4H3,(H,17,20)
InChIKeyPZBKPUAFTXXNOZ-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.57
Rot. Bonds1

About 4-acetyl-N-tert-butyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide

4-acetyl-N-tert-butyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide (PubChem CID 75251149) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-acetyl-N-tert-butyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-tert-butyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide
PubChem CID75251149
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-acetyl-N-tert-butyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide
SMILESCC(=O)N1CC2C3C=CC(C3)C2C1C(=O)NC(C)(C)C
InChIInChI=1S/C16H24N2O2/c1-9(19)18-8-12-10-5-6-11(7-10)13(12)14(18)15(20)17-16(2,3)4/h5-6,10-14H,7-8H2,1-4H3,(H,17,20)
InChIKeyPZBKPUAFTXXNOZ-UHFFFAOYSA-N
XLogP1.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S,3S,6R,7S)-N-tert-butyl-4-(2-nitrophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide
CID 56955230
tert-butyl 3-(hydroxymethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-4-carboxylate;ethane
CID 142237895
(1S,3aR,4R,7S,7aS)-2-benzoyl-N-tert-butyl-1,3,3a,4,7,7a-hexahydro-4,7-epoxyisoindole-1-carboxamide
CID 139192280
(1R,2S,3S,6R,7S)-4-[(2S,3R)-3-cyclopropyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxylic acid
CID 166466602
methyl (1R,2S,3S,6R,7S)-4-[(2S,3R)-3-cyclopropyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxylate
CID 166466523
(1S,2S,3S,6R,7R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-4-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide
CID 171579210
N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-4-[2-[(2,2-difluoroacetyl)amino]-3,3-dimethylbutanoyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide
CID 167425118
N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-4-[3,3-dimethyl-2-[(1-methylcyclopropanecarbonyl)amino]butanoyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide
CID 167425081
(1R,2S,3S,6R,7S)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-4-[(2S)-2-(furan-2-carbonylamino)-3,3-dimethylbutanoyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide
CID 166466464
(1R,2S,3S,6R,7S)-N-[(1S)-1-cyano-2-(2-oxo-1H-pyridin-3-yl)ethyl]-4-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide
CID 171108507
N-[(2S)-1-amino-1-oxo-3-(5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl)propan-2-yl]-4-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide
CID 167424867
tert-butyl (3R)-4-acetyl-3-(tert-butylcarbamoyl)piperazine-1-carboxylate
CID 10806125

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-tert-butyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide?
The IUPAC name of 4-acetyl-N-tert-butyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide (CID 75251149) is 4-acetyl-N-tert-butyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide.
What is the SMILES notation for 4-acetyl-N-tert-butyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide?
The canonical SMILES for 4-acetyl-N-tert-butyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide is CC(=O)N1CC2C3C=CC(C3)C2C1C(=O)NC(C)(C)C.
What is the InChIKey of 4-acetyl-N-tert-butyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide?
The InChIKey is PZBKPUAFTXXNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-9(19)18-8-12-10-5-6-11(7-10)13(12)14(18)15(20)17-16(2,3)4/h5-6,10-14H,7-8H2,1-4H3,(H,17,20).
What are the key properties of 4-acetyl-N-tert-butyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide?
4-acetyl-N-tert-butyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-tert-butyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide is sourced from PubChem (CID 75251149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).