3-methyl-5,6,7,8-tetrahydrocinnoline

C9H12N2 — CID 59271933

IUPAC3-methyl-5,6,7,8-tetrahydrocinnoline
SMILESCc1cc2c(nn1)CCCC2
InChIInChI=1S/C9H12N2/c1-7-6-8-4-2-3-5-9(8)11-10-7/h6H,2-5H2,1H3
InChIKeyLSCOWSXPDOUVCG-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.66
Rot. Bonds

About 3-methyl-5,6,7,8-tetrahydrocinnoline

3-methyl-5,6,7,8-tetrahydrocinnoline (PubChem CID 59271933) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 3-methyl-5,6,7,8-tetrahydrocinnoline.

Molecular Properties

Compound Name3-methyl-5,6,7,8-tetrahydrocinnoline
PubChem CID59271933
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name3-methyl-5,6,7,8-tetrahydrocinnoline
SMILESCc1cc2c(nn1)CCCC2
InChIInChI=1S/C9H12N2/c1-7-6-8-4-2-3-5-9(8)11-10-7/h6H,2-5H2,1H3
InChIKeyLSCOWSXPDOUVCG-UHFFFAOYSA-N
XLogP1.66
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5,6,7,8-tetrahydrocinnoline?
The IUPAC name of 3-methyl-5,6,7,8-tetrahydrocinnoline (CID 59271933) is 3-methyl-5,6,7,8-tetrahydrocinnoline.
What is the SMILES notation for 3-methyl-5,6,7,8-tetrahydrocinnoline?
The canonical SMILES for 3-methyl-5,6,7,8-tetrahydrocinnoline is Cc1cc2c(nn1)CCCC2.
What is the InChIKey of 3-methyl-5,6,7,8-tetrahydrocinnoline?
The InChIKey is LSCOWSXPDOUVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-7-6-8-4-2-3-5-9(8)11-10-7/h6H,2-5H2,1H3.
What are the key properties of 3-methyl-5,6,7,8-tetrahydrocinnoline?
3-methyl-5,6,7,8-tetrahydrocinnoline has a molecular weight of 148.21 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5,6,7,8-tetrahydrocinnoline is sourced from PubChem (CID 59271933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).