(4aS,8aS)-6-methyl-4a,8a-dihydroquinoxaline

C9H10N2 — CID 57156092

IUPAC(4aS,8aS)-6-methyl-4a,8a-dihydroquinoxaline
SMILESCC1=C[C@@H]2N=CC=N[C@H]2C=C1
InChIInChI=1S/C9H10N2/c1-7-2-3-8-9(6-7)11-5-4-10-8/h2-6,8-9H,1H3/t8-,9-/m0/s1
InChIKeyHXCZZIGVOKVFBD-IUCAKERBSA-N
MW146.19 g/mol
LogP1.39
Rot. Bonds

About (4aS,8aS)-6-methyl-4a,8a-dihydroquinoxaline

(4aS,8aS)-6-methyl-4a,8a-dihydroquinoxaline (PubChem CID 57156092) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is (4aS,8aS)-6-methyl-4a,8a-dihydroquinoxaline.

Molecular Properties

Compound Name(4aS,8aS)-6-methyl-4a,8a-dihydroquinoxaline
PubChem CID57156092
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name(4aS,8aS)-6-methyl-4a,8a-dihydroquinoxaline
SMILESCC1=C[C@@H]2N=CC=N[C@H]2C=C1
InChIInChI=1S/C9H10N2/c1-7-2-3-8-9(6-7)11-5-4-10-8/h2-6,8-9H,1H3/t8-,9-/m0/s1
InChIKeyHXCZZIGVOKVFBD-IUCAKERBSA-N
XLogP1.39
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 142913457
8-Methyl-4a,8a-dihydroquinoline
CID 20772220
4a,8a-Dihydroquinoxaline
CID 21025825
8,8a-Dihydroquinoline
CID 57104900
3,7,8,8a-Tetrahydroquinoline
CID 57279747
6-Methyl-4a,8a-dihydroquinoline
CID 57883984
3-Methyl-3,8a-dihydroquinoline
CID 58797905
6-Methyl-4a,8a-dihydroquinoxaline
CID 59199659
6-Propan-2-yl-4a,8a-dihydroquinoline
CID 59940834
8-Methyl-6,7-dihydroquinoline
CID 66607842

Frequently Asked Questions

What is the IUPAC name of (4aS,8aS)-6-methyl-4a,8a-dihydroquinoxaline?
The IUPAC name of (4aS,8aS)-6-methyl-4a,8a-dihydroquinoxaline (CID 57156092) is (4aS,8aS)-6-methyl-4a,8a-dihydroquinoxaline.
What is the SMILES notation for (4aS,8aS)-6-methyl-4a,8a-dihydroquinoxaline?
The canonical SMILES for (4aS,8aS)-6-methyl-4a,8a-dihydroquinoxaline is CC1=C[C@@H]2N=CC=N[C@H]2C=C1.
What is the InChIKey of (4aS,8aS)-6-methyl-4a,8a-dihydroquinoxaline?
The InChIKey is HXCZZIGVOKVFBD-IUCAKERBSA-N. The full InChI is InChI=1S/C9H10N2/c1-7-2-3-8-9(6-7)11-5-4-10-8/h2-6,8-9H,1H3/t8-,9-/m0/s1.
What are the key properties of (4aS,8aS)-6-methyl-4a,8a-dihydroquinoxaline?
(4aS,8aS)-6-methyl-4a,8a-dihydroquinoxaline has a molecular weight of 146.19 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aS)-6-methyl-4a,8a-dihydroquinoxaline is sourced from PubChem (CID 57156092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).