3,4-dimethyl-6,7-dihydrocinnoline

C10H12N2 — CID 89495252

IUPAC3,4-dimethyl-6,7-dihydrocinnoline
SMILESCc1nnc2c(c1C)=CCCC=2
InChIInChI=1S/C10H12N2/c1-7-8(2)11-12-10-6-4-3-5-9(7)10/h5-6H,3-4H2,1-2H3
InChIKeyLBPZQVHWCHESDQ-UHFFFAOYSA-N
MW160.22 g/mol
LogP0.45
Rot. Bonds

About 3,4-dimethyl-6,7-dihydrocinnoline

3,4-dimethyl-6,7-dihydrocinnoline (PubChem CID 89495252) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 3,4-dimethyl-6,7-dihydrocinnoline.

Molecular Properties

Compound Name3,4-dimethyl-6,7-dihydrocinnoline
PubChem CID89495252
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name3,4-dimethyl-6,7-dihydrocinnoline
SMILESCc1nnc2c(c1C)=CCCC=2
InChIInChI=1S/C10H12N2/c1-7-8(2)11-12-10-6-4-3-5-9(7)10/h5-6H,3-4H2,1-2H3
InChIKeyLBPZQVHWCHESDQ-UHFFFAOYSA-N
XLogP0.45
TPSA25.78 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 ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-6,7-dihydrocinnoline?
The IUPAC name of 3,4-dimethyl-6,7-dihydrocinnoline (CID 89495252) is 3,4-dimethyl-6,7-dihydrocinnoline.
What is the SMILES notation for 3,4-dimethyl-6,7-dihydrocinnoline?
The canonical SMILES for 3,4-dimethyl-6,7-dihydrocinnoline is Cc1nnc2c(c1C)=CCCC=2.
What is the InChIKey of 3,4-dimethyl-6,7-dihydrocinnoline?
The InChIKey is LBPZQVHWCHESDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-7-8(2)11-12-10-6-4-3-5-9(7)10/h5-6H,3-4H2,1-2H3.
What are the key properties of 3,4-dimethyl-6,7-dihydrocinnoline?
3,4-dimethyl-6,7-dihydrocinnoline has a molecular weight of 160.22 g/mol, XLogP of 0.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-6,7-dihydrocinnoline is sourced from PubChem (CID 89495252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).