2-(4-methylcyclohexa-1,3-dien-1-yl)-1,8a-dihydroquinoxaline

C15H16N2 — CID 70815934

IUPAC2-(4-methylcyclohexa-1,3-dien-1-yl)-1,8a-dihydroquinoxaline
SMILESCC1=CC=C(C2=CN=C3C=CC=CC3N2)CC1
InChIInChI=1S/C15H16N2/c1-11-6-8-12(9-7-11)15-10-16-13-4-2-3-5-14(13)17-15/h2-6,8,10,14,17H,7,9H2,1H3
InChIKeyLPRLXRPDGHWSGL-UHFFFAOYSA-N
MW224.31 g/mol
LogP3.03
Rot. Bonds1

About 2-(4-methylcyclohexa-1,3-dien-1-yl)-1,8a-dihydroquinoxaline

2-(4-methylcyclohexa-1,3-dien-1-yl)-1,8a-dihydroquinoxaline (PubChem CID 70815934) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-(4-methylcyclohexa-1,3-dien-1-yl)-1,8a-dihydroquinoxaline.

Molecular Properties

Compound Name2-(4-methylcyclohexa-1,3-dien-1-yl)-1,8a-dihydroquinoxaline
PubChem CID70815934
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC Name2-(4-methylcyclohexa-1,3-dien-1-yl)-1,8a-dihydroquinoxaline
SMILESCC1=CC=C(C2=CN=C3C=CC=CC3N2)CC1
InChIInChI=1S/C15H16N2/c1-11-6-8-12(9-7-11)15-10-16-13-4-2-3-5-14(13)17-15/h2-6,8,10,14,17H,7,9H2,1H3
InChIKeyLPRLXRPDGHWSGL-UHFFFAOYSA-N
XLogP3.03
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexa-1,3-dien-1-yl)-1,8a-dihydroquinoxaline?
The IUPAC name of 2-(4-methylcyclohexa-1,3-dien-1-yl)-1,8a-dihydroquinoxaline (CID 70815934) is 2-(4-methylcyclohexa-1,3-dien-1-yl)-1,8a-dihydroquinoxaline.
What is the SMILES notation for 2-(4-methylcyclohexa-1,3-dien-1-yl)-1,8a-dihydroquinoxaline?
The canonical SMILES for 2-(4-methylcyclohexa-1,3-dien-1-yl)-1,8a-dihydroquinoxaline is CC1=CC=C(C2=CN=C3C=CC=CC3N2)CC1.
What is the InChIKey of 2-(4-methylcyclohexa-1,3-dien-1-yl)-1,8a-dihydroquinoxaline?
The InChIKey is LPRLXRPDGHWSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2/c1-11-6-8-12(9-7-11)15-10-16-13-4-2-3-5-14(13)17-15/h2-6,8,10,14,17H,7,9H2,1H3.
What are the key properties of 2-(4-methylcyclohexa-1,3-dien-1-yl)-1,8a-dihydroquinoxaline?
2-(4-methylcyclohexa-1,3-dien-1-yl)-1,8a-dihydroquinoxaline has a molecular weight of 224.31 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexa-1,3-dien-1-yl)-1,8a-dihydroquinoxaline is sourced from PubChem (CID 70815934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).