2-(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)acetonitrile

C12H15N3 — CID 84776377

IUPAC2-(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)acetonitrile
SMILESCN1CCN(C)c2c(CC#N)cccc21
InChIInChI=1S/C12H15N3/c1-14-8-9-15(2)12-10(6-7-13)4-3-5-11(12)14/h3-5H,6,8-9H2,1-2H3
InChIKeyPTTHYYUCIVYXNI-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.64
Rot. Bonds1

About 2-(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)acetonitrile

2-(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)acetonitrile (PubChem CID 84776377) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)acetonitrile.

Molecular Properties

Compound Name2-(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)acetonitrile
PubChem CID84776377
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name2-(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)acetonitrile
SMILESCN1CCN(C)c2c(CC#N)cccc21
InChIInChI=1S/C12H15N3/c1-14-8-9-15(2)12-10(6-7-13)4-3-5-11(12)14/h3-5H,6,8-9H2,1-2H3
InChIKeyPTTHYYUCIVYXNI-UHFFFAOYSA-N
XLogP1.64
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)acetonitrile?
The IUPAC name of 2-(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)acetonitrile (CID 84776377) is 2-(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)acetonitrile.
What is the SMILES notation for 2-(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)acetonitrile?
The canonical SMILES for 2-(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)acetonitrile is CN1CCN(C)c2c(CC#N)cccc21.
What is the InChIKey of 2-(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)acetonitrile?
The InChIKey is PTTHYYUCIVYXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-14-8-9-15(2)12-10(6-7-13)4-3-5-11(12)14/h3-5H,6,8-9H2,1-2H3.
What are the key properties of 2-(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)acetonitrile?
2-(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)acetonitrile has a molecular weight of 201.27 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)acetonitrile is sourced from PubChem (CID 84776377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).