2-propan-2-yl-4a,8a-dihydroquinoxaline

C11H14N2 — CID 89171962

IUPAC2-propan-2-yl-4a,8a-dihydroquinoxaline
SMILESCC(C)C1=NC2C=CC=CC2N=C1
InChIInChI=1S/C11H14N2/c1-8(2)11-7-12-9-5-3-4-6-10(9)13-11/h3-10H,1-2H3
InChIKeyUHZSMSSIVHGICE-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.03
Rot. Bonds1

About 2-propan-2-yl-4a,8a-dihydroquinoxaline

2-propan-2-yl-4a,8a-dihydroquinoxaline (PubChem CID 89171962) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 2-propan-2-yl-4a,8a-dihydroquinoxaline.

Molecular Properties

Compound Name2-propan-2-yl-4a,8a-dihydroquinoxaline
PubChem CID89171962
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name2-propan-2-yl-4a,8a-dihydroquinoxaline
SMILESCC(C)C1=NC2C=CC=CC2N=C1
InChIInChI=1S/C11H14N2/c1-8(2)11-7-12-9-5-3-4-6-10(9)13-11/h3-10H,1-2H3
InChIKeyUHZSMSSIVHGICE-UHFFFAOYSA-N
XLogP2.03
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4a,8a-dihydroquinoxaline?
The IUPAC name of 2-propan-2-yl-4a,8a-dihydroquinoxaline (CID 89171962) is 2-propan-2-yl-4a,8a-dihydroquinoxaline.
What is the SMILES notation for 2-propan-2-yl-4a,8a-dihydroquinoxaline?
The canonical SMILES for 2-propan-2-yl-4a,8a-dihydroquinoxaline is CC(C)C1=NC2C=CC=CC2N=C1.
What is the InChIKey of 2-propan-2-yl-4a,8a-dihydroquinoxaline?
The InChIKey is UHZSMSSIVHGICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-8(2)11-7-12-9-5-3-4-6-10(9)13-11/h3-10H,1-2H3.
What are the key properties of 2-propan-2-yl-4a,8a-dihydroquinoxaline?
2-propan-2-yl-4a,8a-dihydroquinoxaline has a molecular weight of 174.25 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4a,8a-dihydroquinoxaline is sourced from PubChem (CID 89171962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).