1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3-carboxamide

C12H12N2O — CID 141233488

IUPAC1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3-carboxamide
SMILESNC(=O)C1CN2CC=Cc3cccc1c32
InChIInChI=1S/C12H12N2O/c13-12(15)10-7-14-6-2-4-8-3-1-5-9(10)11(8)14/h1-5,10H,6-7H2,(H2,13,15)
InChIKeyYATUEEMAMDRFRX-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.10
Rot. Bonds1

About 1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3-carboxamide

1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3-carboxamide (PubChem CID 141233488) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3-carboxamide.

Molecular Properties

Compound Name1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3-carboxamide
PubChem CID141233488
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3-carboxamide
SMILESNC(=O)C1CN2CC=Cc3cccc1c32
InChIInChI=1S/C12H12N2O/c13-12(15)10-7-14-6-2-4-8-3-1-5-9(10)11(8)14/h1-5,10H,6-7H2,(H2,13,15)
InChIKeyYATUEEMAMDRFRX-UHFFFAOYSA-N
XLogP1.10
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 173183510
(1S,3R)-3-carbamoyl-2,3-dihydro-1H-indene-1-carboxylic acid
CID 15404757
2-(2,5-dihydroxypyrrol-1-yl)-1-(8-hydroxy-2H-quinolin-1-yl)ethanone
CID 91020181
1-methylsulfonyl-2,3-dihydroindole-3-carboxamide
CID 166050469
2,3-dihydro-1-benzothiophene-3-carboxamide
CID 78993611
1-(2-amino-2-oxoethyl)-2,3-dihydroindole-3-carboxylic acid
CID 80565297
1-(2,6-dimethylphenyl)piperidine-3-carboxamide
CID 117008259
1-[2-(methylamino)acetyl]-2,3-dihydroindole-3-carboxamide;hydrochloride
CID 75513766
methyl 1,2-dihydronaphthalene-1-carboxylate
CID 15368519
3-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)piperidine-2,6-dione
CID 167016294
1H-inden-1-yl carbamate
CID 57124867

Frequently Asked Questions

What is the IUPAC name of 1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3-carboxamide?
The IUPAC name of 1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3-carboxamide (CID 141233488) is 1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3-carboxamide.
What is the SMILES notation for 1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3-carboxamide?
The canonical SMILES for 1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3-carboxamide is NC(=O)C1CN2CC=Cc3cccc1c32.
What is the InChIKey of 1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3-carboxamide?
The InChIKey is YATUEEMAMDRFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c13-12(15)10-7-14-6-2-4-8-3-1-5-9(10)11(8)14/h1-5,10H,6-7H2,(H2,13,15).
What are the key properties of 1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3-carboxamide?
1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3-carboxamide has a molecular weight of 200.24 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3-carboxamide is sourced from PubChem (CID 141233488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).