6-methyl-1,2,3,4,4a,8a-hexahydrocinnoline

C9H14N2 — CID 133060086

IUPAC6-methyl-1,2,3,4,4a,8a-hexahydrocinnoline
SMILESCC1=CC2CCNNC2C=C1
InChIInChI=1S/C9H14N2/c1-7-2-3-9-8(6-7)4-5-10-11-9/h2-3,6,8-11H,4-5H2,1H3
InChIKeyIRYUTHVIHSUFDQ-UHFFFAOYSA-N
MW150.22 g/mol
LogP0.99
Rot. Bonds

About 6-methyl-1,2,3,4,4a,8a-hexahydrocinnoline

6-methyl-1,2,3,4,4a,8a-hexahydrocinnoline (PubChem CID 133060086) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 6-methyl-1,2,3,4,4a,8a-hexahydrocinnoline.

Molecular Properties

Compound Name6-methyl-1,2,3,4,4a,8a-hexahydrocinnoline
PubChem CID133060086
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name6-methyl-1,2,3,4,4a,8a-hexahydrocinnoline
SMILESCC1=CC2CCNNC2C=C1
InChIInChI=1S/C9H14N2/c1-7-2-3-9-8(6-7)4-5-10-11-9/h2-3,6,8-11H,4-5H2,1H3
InChIKeyIRYUTHVIHSUFDQ-UHFFFAOYSA-N
XLogP0.99
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Hexahydrocinnoline
CID 21927857
6-Fluoro-1,2,3,4,4a,8a-hexahydrocinnoline
CID 133062245
1,2,3,4,4a,8a-Hexahydrocinnoline
CID 18771128
1,2,3,4,4a,5-Hexahydrophthalazine
CID 22751167
1,2,3,7,8,8a-Hexahydrocinnoline
CID 90990123
1,2,3,4,6,8a-Hexahydrocinnoline
CID 91056164
1,2,3,4,8,8a-Hexahydrocinnoline
CID 91269190
(6-Methylcyclohexa-1,3-dien-1-yl)methylhydrazine
CID 118508895
(5,6-Dimethylcyclohepta-2,4-dien-1-yl)hydrazine
CID 135190237
(2,6-Dimethylcyclohexa-2,4-dien-1-yl)hydrazine
CID 150776635
3-methyl-2,4,8,8a-tetrahydro-1H-phthalazine
CID 154385450
[(1R)-4,7-dimethylcyclohepta-2,4-dien-1-yl]hydrazine
CID 163777490

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,2,3,4,4a,8a-hexahydrocinnoline?
The IUPAC name of 6-methyl-1,2,3,4,4a,8a-hexahydrocinnoline (CID 133060086) is 6-methyl-1,2,3,4,4a,8a-hexahydrocinnoline.
What is the SMILES notation for 6-methyl-1,2,3,4,4a,8a-hexahydrocinnoline?
The canonical SMILES for 6-methyl-1,2,3,4,4a,8a-hexahydrocinnoline is CC1=CC2CCNNC2C=C1.
What is the InChIKey of 6-methyl-1,2,3,4,4a,8a-hexahydrocinnoline?
The InChIKey is IRYUTHVIHSUFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-7-2-3-9-8(6-7)4-5-10-11-9/h2-3,6,8-11H,4-5H2,1H3.
What are the key properties of 6-methyl-1,2,3,4,4a,8a-hexahydrocinnoline?
6-methyl-1,2,3,4,4a,8a-hexahydrocinnoline has a molecular weight of 150.22 g/mol, XLogP of 0.99, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,2,3,4,4a,8a-hexahydrocinnoline is sourced from PubChem (CID 133060086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).