4-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;ethane

C12H17N — CID 144567672

IUPAC4-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;ethane
SMILESCC.c1cc2c(cn1)C1CCC2C1
InChIInChI=1S/C10H11N.C2H6/c1-2-8-5-7(1)9-3-4-11-6-10(8)9;1-2/h3-4,6-8H,1-2,5H2;1-2H3
InChIKeyNLXSVIKTHQSMDH-UHFFFAOYSA-N
MW175.28 g/mol
LogP3.47
Rot. Bonds

About 4-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;ethane

4-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;ethane (PubChem CID 144567672) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 4-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;ethane.

Molecular Properties

Compound Name4-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;ethane
PubChem CID144567672
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name4-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;ethane
SMILESCC.c1cc2c(cn1)C1CCC2C1
InChIInChI=1S/C10H11N.C2H6/c1-2-8-5-7(1)9-3-4-11-6-10(8)9;1-2/h3-4,6-8H,1-2,5H2;1-2H3
InChIKeyNLXSVIKTHQSMDH-UHFFFAOYSA-N
XLogP3.47
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;ethane?
The IUPAC name of 4-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;ethane (CID 144567672) is 4-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;ethane.
What is the SMILES notation for 4-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;ethane?
The canonical SMILES for 4-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;ethane is CC.c1cc2c(cn1)C1CCC2C1.
What is the InChIKey of 4-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;ethane?
The InChIKey is NLXSVIKTHQSMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N.C2H6/c1-2-8-5-7(1)9-3-4-11-6-10(8)9;1-2/h3-4,6-8H,1-2,5H2;1-2H3.
What are the key properties of 4-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;ethane?
4-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;ethane has a molecular weight of 175.28 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;ethane is sourced from PubChem (CID 144567672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).