5,8-dimethyl-8,8a-dihydrocinnoline

C10H12N2 — CID 122691935

IUPAC5,8-dimethyl-8,8a-dihydrocinnoline
SMILESCC1=C2C=CN=NC2C(C)C=C1
InChIInChI=1S/C10H12N2/c1-7-3-4-8(2)10-9(7)5-6-11-12-10/h3-6,8,10H,1-2H3
InChIKeyLSJCHSTYQUDSRI-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.86
Rot. Bonds

About 5,8-dimethyl-8,8a-dihydrocinnoline

5,8-dimethyl-8,8a-dihydrocinnoline (PubChem CID 122691935) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 5,8-dimethyl-8,8a-dihydrocinnoline.

Molecular Properties

Compound Name5,8-dimethyl-8,8a-dihydrocinnoline
PubChem CID122691935
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name5,8-dimethyl-8,8a-dihydrocinnoline
SMILESCC1=C2C=CN=NC2C(C)C=C1
InChIInChI=1S/C10H12N2/c1-7-3-4-8(2)10-9(7)5-6-11-12-10/h3-6,8,10H,1-2H3
InChIKeyLSJCHSTYQUDSRI-UHFFFAOYSA-N
XLogP2.86
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-8,8a-dihydrocinnoline?
The IUPAC name of 5,8-dimethyl-8,8a-dihydrocinnoline (CID 122691935) is 5,8-dimethyl-8,8a-dihydrocinnoline.
What is the SMILES notation for 5,8-dimethyl-8,8a-dihydrocinnoline?
The canonical SMILES for 5,8-dimethyl-8,8a-dihydrocinnoline is CC1=C2C=CN=NC2C(C)C=C1.
What is the InChIKey of 5,8-dimethyl-8,8a-dihydrocinnoline?
The InChIKey is LSJCHSTYQUDSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-7-3-4-8(2)10-9(7)5-6-11-12-10/h3-6,8,10H,1-2H3.
What are the key properties of 5,8-dimethyl-8,8a-dihydrocinnoline?
5,8-dimethyl-8,8a-dihydrocinnoline has a molecular weight of 160.22 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-8,8a-dihydrocinnoline is sourced from PubChem (CID 122691935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).