10-(2-aminoethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one

C13H14N2O — CID 84618153

IUPAC10-(2-aminoethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one
SMILESNCCc1cc2cccc3c2n(c1=O)CC3
InChIInChI=1S/C13H14N2O/c14-6-4-11-8-10-3-1-2-9-5-7-15(12(9)10)13(11)16/h1-3,8H,4-7,14H2
InChIKeyJPGVMIQLBQSWMA-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.06
Rot. Bonds2

About 10-(2-aminoethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one

10-(2-aminoethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one (PubChem CID 84618153) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 10-(2-aminoethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one.

Molecular Properties

Compound Name10-(2-aminoethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one
PubChem CID84618153
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name10-(2-aminoethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one
SMILESNCCc1cc2cccc3c2n(c1=O)CC3
InChIInChI=1S/C13H14N2O/c14-6-4-11-8-10-3-1-2-9-5-7-15(12(9)10)13(11)16/h1-3,8H,4-7,14H2
InChIKeyJPGVMIQLBQSWMA-UHFFFAOYSA-N
XLogP1.06
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 10-(2-aminoethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-(ethylaminomethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one
CID 18802169
3-(2-aminobutyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one;hydrochloride
CID 170889347
(2R)-2-amino-3-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)propanoic acid
CID 125361978
1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one
CID 10241240
2-[[5-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-10-yl)-4H-pyrazol-3-yl]sulfanyl]acetic acid
CID 159259333
3-(2-aminoethyl)-1-ethylquinolin-2-one
CID 102537317
3-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one
CID 102537319
2-amino-2-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)acetonitrile
CID 121210378
N-(diaminomethylidene)-4-azatricyclo[5.3.1.04,11]undeca-1(11),2,7,9-tetraene-3-carboxamide
CID 20676360
10-(4-benzhydrylpiperazine-1-carbonyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one
CID 4232953
2-[3-(2-aminoethyl)naphthalen-2-yl]ethanamine
CID 170886565
3-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)prop-2-enoic acid
CID 2736144

Frequently Asked Questions

What is the IUPAC name of 10-(2-aminoethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one?
The IUPAC name of 10-(2-aminoethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one (CID 84618153) is 10-(2-aminoethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one.
What is the SMILES notation for 10-(2-aminoethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one?
The canonical SMILES for 10-(2-aminoethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one is NCCc1cc2cccc3c2n(c1=O)CC3.
What is the InChIKey of 10-(2-aminoethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one?
The InChIKey is JPGVMIQLBQSWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c14-6-4-11-8-10-3-1-2-9-5-7-15(12(9)10)13(11)16/h1-3,8H,4-7,14H2.
What are the key properties of 10-(2-aminoethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one?
10-(2-aminoethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one has a molecular weight of 214.27 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-aminoethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one is sourced from PubChem (CID 84618153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).