4-methyl-4,4a-dihydrocinnoline

C9H10N2 — CID 130347194

IUPAC4-methyl-4,4a-dihydrocinnoline
SMILESCC1C=NN=C2C=CC=CC21
InChIInChI=1S/C9H10N2/c1-7-6-10-11-9-5-3-2-4-8(7)9/h2-8H,1H3
InChIKeyISADSTQKDSIRNL-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.81
Rot. Bonds

About 4-methyl-4,4a-dihydrocinnoline

4-methyl-4,4a-dihydrocinnoline (PubChem CID 130347194) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 4-methyl-4,4a-dihydrocinnoline.

Molecular Properties

Compound Name4-methyl-4,4a-dihydrocinnoline
PubChem CID130347194
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name4-methyl-4,4a-dihydrocinnoline
SMILESCC1C=NN=C2C=CC=CC21
InChIInChI=1S/C9H10N2/c1-7-6-10-11-9-5-3-2-4-8(7)9/h2-8H,1H3
InChIKeyISADSTQKDSIRNL-UHFFFAOYSA-N
XLogP1.81
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4,4a-dihydrocinnoline?
The IUPAC name of 4-methyl-4,4a-dihydrocinnoline (CID 130347194) is 4-methyl-4,4a-dihydrocinnoline.
What is the SMILES notation for 4-methyl-4,4a-dihydrocinnoline?
The canonical SMILES for 4-methyl-4,4a-dihydrocinnoline is CC1C=NN=C2C=CC=CC21.
What is the InChIKey of 4-methyl-4,4a-dihydrocinnoline?
The InChIKey is ISADSTQKDSIRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-7-6-10-11-9-5-3-2-4-8(7)9/h2-8H,1H3.
What are the key properties of 4-methyl-4,4a-dihydrocinnoline?
4-methyl-4,4a-dihydrocinnoline has a molecular weight of 146.19 g/mol, XLogP of 1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4,4a-dihydrocinnoline is sourced from PubChem (CID 130347194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).