3,7-dimethyl-1,2,6,7-tetrahydrocinnoline

C10H14N2 — CID 89495254

IUPAC3,7-dimethyl-1,2,6,7-tetrahydrocinnoline
SMILESCC1=CC2=CCC(C)C=C2NN1
InChIInChI=1S/C10H14N2/c1-7-3-4-9-6-8(2)11-12-10(9)5-7/h4-7,11-12H,3H2,1-2H3
InChIKeyRTCQACDXMDUMBV-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.85
Rot. Bonds

About 3,7-dimethyl-1,2,6,7-tetrahydrocinnoline

3,7-dimethyl-1,2,6,7-tetrahydrocinnoline (PubChem CID 89495254) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 3,7-dimethyl-1,2,6,7-tetrahydrocinnoline.

Molecular Properties

Compound Name3,7-dimethyl-1,2,6,7-tetrahydrocinnoline
PubChem CID89495254
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name3,7-dimethyl-1,2,6,7-tetrahydrocinnoline
SMILESCC1=CC2=CCC(C)C=C2NN1
InChIInChI=1S/C10H14N2/c1-7-3-4-9-6-8(2)11-12-10(9)5-7/h4-7,11-12H,3H2,1-2H3
InChIKeyRTCQACDXMDUMBV-UHFFFAOYSA-N
XLogP1.85
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-1,2,6,7-tetrahydrocinnoline?
The IUPAC name of 3,7-dimethyl-1,2,6,7-tetrahydrocinnoline (CID 89495254) is 3,7-dimethyl-1,2,6,7-tetrahydrocinnoline.
What is the SMILES notation for 3,7-dimethyl-1,2,6,7-tetrahydrocinnoline?
The canonical SMILES for 3,7-dimethyl-1,2,6,7-tetrahydrocinnoline is CC1=CC2=CCC(C)C=C2NN1.
What is the InChIKey of 3,7-dimethyl-1,2,6,7-tetrahydrocinnoline?
The InChIKey is RTCQACDXMDUMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-7-3-4-9-6-8(2)11-12-10(9)5-7/h4-7,11-12H,3H2,1-2H3.
What are the key properties of 3,7-dimethyl-1,2,6,7-tetrahydrocinnoline?
3,7-dimethyl-1,2,6,7-tetrahydrocinnoline has a molecular weight of 162.24 g/mol, XLogP of 1.85, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-1,2,6,7-tetrahydrocinnoline is sourced from PubChem (CID 89495254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).