2-(5,6,7,8-tetrahydroquinoxalin-2-yl)acetonitrile

C10H11N3 — CID 84766467

IUPAC2-(5,6,7,8-tetrahydroquinoxalin-2-yl)acetonitrile
SMILESN#CCc1cnc2c(n1)CCCC2
InChIInChI=1S/C10H11N3/c11-6-5-8-7-12-9-3-1-2-4-10(9)13-8/h7H,1-5H2
InChIKeyPAVCAKFKCVYTOA-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.42
Rot. Bonds1

About 2-(5,6,7,8-tetrahydroquinoxalin-2-yl)acetonitrile

2-(5,6,7,8-tetrahydroquinoxalin-2-yl)acetonitrile (PubChem CID 84766467) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 2-(5,6,7,8-tetrahydroquinoxalin-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(5,6,7,8-tetrahydroquinoxalin-2-yl)acetonitrile
PubChem CID84766467
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name2-(5,6,7,8-tetrahydroquinoxalin-2-yl)acetonitrile
SMILESN#CCc1cnc2c(n1)CCCC2
InChIInChI=1S/C10H11N3/c11-6-5-8-7-12-9-3-1-2-4-10(9)13-8/h7H,1-5H2
InChIKeyPAVCAKFKCVYTOA-UHFFFAOYSA-N
XLogP1.42
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6,7,8-tetrahydroquinoxalin-2-yl)acetonitrile?
The IUPAC name of 2-(5,6,7,8-tetrahydroquinoxalin-2-yl)acetonitrile (CID 84766467) is 2-(5,6,7,8-tetrahydroquinoxalin-2-yl)acetonitrile.
What is the SMILES notation for 2-(5,6,7,8-tetrahydroquinoxalin-2-yl)acetonitrile?
The canonical SMILES for 2-(5,6,7,8-tetrahydroquinoxalin-2-yl)acetonitrile is N#CCc1cnc2c(n1)CCCC2.
What is the InChIKey of 2-(5,6,7,8-tetrahydroquinoxalin-2-yl)acetonitrile?
The InChIKey is PAVCAKFKCVYTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c11-6-5-8-7-12-9-3-1-2-4-10(9)13-8/h7H,1-5H2.
What are the key properties of 2-(5,6,7,8-tetrahydroquinoxalin-2-yl)acetonitrile?
2-(5,6,7,8-tetrahydroquinoxalin-2-yl)acetonitrile has a molecular weight of 173.22 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6,7,8-tetrahydroquinoxalin-2-yl)acetonitrile is sourced from PubChem (CID 84766467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).