N-ethyl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxamide

C13H16N2O — CID 122270460

IUPACN-ethyl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxamide
SMILESCCNC(=O)N1C2CCC1c1ccccc12
InChIInChI=1S/C13H16N2O/c1-2-14-13(16)15-11-7-8-12(15)10-6-4-3-5-9(10)11/h3-6,11-12H,2,7-8H2,1H3,(H,14,16)
InChIKeyCTMHUZWUWDROLK-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.61
Rot. Bonds1

About N-ethyl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxamide

N-ethyl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxamide (PubChem CID 122270460) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-ethyl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxamide.

Molecular Properties

Compound NameN-ethyl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxamide
PubChem CID122270460
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-ethyl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxamide
SMILESCCNC(=O)N1C2CCC1c1ccccc12
InChIInChI=1S/C13H16N2O/c1-2-14-13(16)15-11-7-8-12(15)10-6-4-3-5-9(10)11/h3-6,11-12H,2,7-8H2,1H3,(H,14,16)
InChIKeyCTMHUZWUWDROLK-UHFFFAOYSA-N
XLogP2.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1-aminocyclobutyl)methyl]-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxamide
CID 128825805
3-N-cyclopropyl-1-N-ethyl-4-(2-methylphenyl)pyrrolidine-1,3-dicarboxamide
CID 42828595
(3R)-3-(benzenesulfonyl)-N-ethylpyrrolidine-1-carboxamide
CID 97414974
N-ethyl-4-(2-iodobenzoyl)piperazine-1-carboxamide
CID 47126280
(1S,3S,4S)-2-N-ethyl-3-N-phenyl-2-azabicyclo[2.2.1]heptane-2,3-dicarboxamide
CID 124868392
methyl 2-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carbonylamino)-6-fluorobenzoate
CID 122148542
N-ethyl-7-methoxy-1-methyl-2-oxo-3,5,6,7-tetrahydro-1,4-benzodiazonine-4-carboxamide
CID 134787098
N-[(3R)-1-(ethylcarbamoyl)pyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 97099923
N-ethyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121195616
3-[2-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione
CID 127346778
(2S)-4-cyclopropyl-N-ethyl-2-phenylpiperazine-1-carboxamide
CID 97040903
N-ethyl-9H-fluorene-9-carboxamide
CID 22891606

Frequently Asked Questions

What is the IUPAC name of N-ethyl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxamide?
The IUPAC name of N-ethyl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxamide (CID 122270460) is N-ethyl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxamide.
What is the SMILES notation for N-ethyl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxamide?
The canonical SMILES for N-ethyl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxamide is CCNC(=O)N1C2CCC1c1ccccc12.
What is the InChIKey of N-ethyl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxamide?
The InChIKey is CTMHUZWUWDROLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-2-14-13(16)15-11-7-8-12(15)10-6-4-3-5-9(10)11/h3-6,11-12H,2,7-8H2,1H3,(H,14,16).
What are the key properties of N-ethyl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxamide?
N-ethyl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxamide has a molecular weight of 216.28 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxamide is sourced from PubChem (CID 122270460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).