8-methyl-4a,5,8,8a-tetrahydrocinnoline

C9H12N2 — CID 175635845

IUPAC8-methyl-4a,5,8,8a-tetrahydrocinnoline
SMILESCC1C=CCC2C=CN=NC12
InChIInChI=1S/C9H12N2/c1-7-3-2-4-8-5-6-10-11-9(7)8/h2-3,5-9H,4H2,1H3
InChIKeyQLLUJFLZEYVOJB-UHFFFAOYSA-N
MW148.21 g/mol
LogP2.55
Rot. Bonds

About 8-methyl-4a,5,8,8a-tetrahydrocinnoline

8-methyl-4a,5,8,8a-tetrahydrocinnoline (PubChem CID 175635845) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 8-methyl-4a,5,8,8a-tetrahydrocinnoline.

Molecular Properties

Compound Name8-methyl-4a,5,8,8a-tetrahydrocinnoline
PubChem CID175635845
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name8-methyl-4a,5,8,8a-tetrahydrocinnoline
SMILESCC1C=CCC2C=CN=NC12
InChIInChI=1S/C9H12N2/c1-7-3-2-4-8-5-6-10-11-9(7)8/h2-3,5-9H,4H2,1H3
InChIKeyQLLUJFLZEYVOJB-UHFFFAOYSA-N
XLogP2.55
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,4,4a,5,8,8a-Hexahydrocinnoline
CID 56981779
3,4,4a,7,8,8a-Hexahydrocinnoline
CID 90874658
4-Methyl-1,5,8,8a-tetrahydrophthalazine
CID 90960127
3,4,4a,5,6,8a-Hexahydrocinnoline
CID 91560605
5,8-Dimethyl-8,8a-dihydrocinnoline
CID 122691935
3,4,4a,5,6,7-Hexahydrocinnoline
CID 123195674
3-Methyl-4-propan-2-yl-3,4-dihydropyridazine
CID 129093179
3,4-Di(propan-2-yl)-3,4-dihydropyridazine
CID 138633727
5-Ethyl-4a,5,6,7-tetrahydrocinnoline
CID 143336379
4a,7,8,8a-Tetrahydrocinnoline
CID 156767727
3-(2-Methylpropyl)-3,4-dihydropyridazine
CID 169854876

Frequently Asked Questions

What is the IUPAC name of 8-methyl-4a,5,8,8a-tetrahydrocinnoline?
The IUPAC name of 8-methyl-4a,5,8,8a-tetrahydrocinnoline (CID 175635845) is 8-methyl-4a,5,8,8a-tetrahydrocinnoline.
What is the SMILES notation for 8-methyl-4a,5,8,8a-tetrahydrocinnoline?
The canonical SMILES for 8-methyl-4a,5,8,8a-tetrahydrocinnoline is CC1C=CCC2C=CN=NC12.
What is the InChIKey of 8-methyl-4a,5,8,8a-tetrahydrocinnoline?
The InChIKey is QLLUJFLZEYVOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-7-3-2-4-8-5-6-10-11-9(7)8/h2-3,5-9H,4H2,1H3.
What are the key properties of 8-methyl-4a,5,8,8a-tetrahydrocinnoline?
8-methyl-4a,5,8,8a-tetrahydrocinnoline has a molecular weight of 148.21 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4a,5,8,8a-tetrahydrocinnoline is sourced from PubChem (CID 175635845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).