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

C14H16N2O — CID 18802169

IUPAC10-(ethylaminomethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one
SMILESCCNCc1cc2cccc3c2n(c1=O)CC3
InChIInChI=1S/C14H16N2O/c1-2-15-9-12-8-11-5-3-4-10-6-7-16(13(10)11)14(12)17/h3-5,8,15H,2,6-7,9H2,1H3
InChIKeyFJNMGHGOXJCUGE-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.67
Rot. Bonds3

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

10-(ethylaminomethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one (PubChem CID 18802169) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 10-(ethylaminomethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one.

Molecular Properties

Compound Name10-(ethylaminomethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one
PubChem CID18802169
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name10-(ethylaminomethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one
SMILESCCNCc1cc2cccc3c2n(c1=O)CC3
InChIInChI=1S/C14H16N2O/c1-2-15-9-12-8-11-5-3-4-10-6-7-16(13(10)11)14(12)17/h3-5,8,15H,2,6-7,9H2,1H3
InChIKeyFJNMGHGOXJCUGE-UHFFFAOYSA-N
XLogP1.67
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-(ethylaminomethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one?
The IUPAC name of 10-(ethylaminomethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one (CID 18802169) is 10-(ethylaminomethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one.
What is the SMILES notation for 10-(ethylaminomethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one?
The canonical SMILES for 10-(ethylaminomethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one is CCNCc1cc2cccc3c2n(c1=O)CC3.
What is the InChIKey of 10-(ethylaminomethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one?
The InChIKey is FJNMGHGOXJCUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-2-15-9-12-8-11-5-3-4-10-6-7-16(13(10)11)14(12)17/h3-5,8,15H,2,6-7,9H2,1H3.
What are the key properties of 10-(ethylaminomethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one?
10-(ethylaminomethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one has a molecular weight of 228.29 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(ethylaminomethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one is sourced from PubChem (CID 18802169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).