10-ethyl-3-azatricyclo[5.2.1.02,6]deca-1(10),2,4,6-tetraene

C11H11N — CID 18377801

IUPAC10-ethyl-3-azatricyclo[5.2.1.02,6]deca-1(10),2,4,6-tetraene
SMILESCCC1=C2CCC1=C1C=CN=C12
InChIInChI=1S/C11H11N/c1-2-7-8-3-4-9(7)11-10(8)5-6-12-11/h5-6H,2-4H2,1H3
InChIKeyPGEGUXPFKWIPDX-UHFFFAOYSA-N
MW157.22 g/mol
LogP2.77
Rot. Bonds1

About 10-ethyl-3-azatricyclo[5.2.1.02,6]deca-1(10),2,4,6-tetraene

10-ethyl-3-azatricyclo[5.2.1.02,6]deca-1(10),2,4,6-tetraene (PubChem CID 18377801) has the molecular formula C11H11N and a molecular weight of 157.22 g/mol. Its IUPAC name is 10-ethyl-3-azatricyclo[5.2.1.02,6]deca-1(10),2,4,6-tetraene.

Molecular Properties

Compound Name10-ethyl-3-azatricyclo[5.2.1.02,6]deca-1(10),2,4,6-tetraene
PubChem CID18377801
Molecular FormulaC11H11N
Molecular Weight157.22 g/mol
Exact Mass157.09
IUPAC Name10-ethyl-3-azatricyclo[5.2.1.02,6]deca-1(10),2,4,6-tetraene
SMILESCCC1=C2CCC1=C1C=CN=C12
InChIInChI=1S/C11H11N/c1-2-7-8-3-4-9(7)11-10(8)5-6-12-11/h5-6H,2-4H2,1H3
InChIKeyPGEGUXPFKWIPDX-UHFFFAOYSA-N
XLogP2.77
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 10-ethyl-3-azatricyclo[5.2.1.02,6]deca-1(10),2,4,6-tetraene?
The IUPAC name of 10-ethyl-3-azatricyclo[5.2.1.02,6]deca-1(10),2,4,6-tetraene (CID 18377801) is 10-ethyl-3-azatricyclo[5.2.1.02,6]deca-1(10),2,4,6-tetraene.
What is the SMILES notation for 10-ethyl-3-azatricyclo[5.2.1.02,6]deca-1(10),2,4,6-tetraene?
The canonical SMILES for 10-ethyl-3-azatricyclo[5.2.1.02,6]deca-1(10),2,4,6-tetraene is CCC1=C2CCC1=C1C=CN=C12.
What is the InChIKey of 10-ethyl-3-azatricyclo[5.2.1.02,6]deca-1(10),2,4,6-tetraene?
The InChIKey is PGEGUXPFKWIPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N/c1-2-7-8-3-4-9(7)11-10(8)5-6-12-11/h5-6H,2-4H2,1H3.
What are the key properties of 10-ethyl-3-azatricyclo[5.2.1.02,6]deca-1(10),2,4,6-tetraene?
10-ethyl-3-azatricyclo[5.2.1.02,6]deca-1(10),2,4,6-tetraene has a molecular weight of 157.22 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethyl-3-azatricyclo[5.2.1.02,6]deca-1(10),2,4,6-tetraene is sourced from PubChem (CID 18377801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).