2-methyl-1,5,8,8a-tetrahydroquinoline

C10H13N — CID 18504278

IUPAC2-methyl-1,5,8,8a-tetrahydroquinoline
SMILESCC1=CC=C2CC=CCC2N1
InChIInChI=1S/C10H13N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-3,6-7,10-11H,4-5H2,1H3
InChIKeySBISFOMORSXLCE-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.14
Rot. Bonds

About 2-methyl-1,5,8,8a-tetrahydroquinoline

2-methyl-1,5,8,8a-tetrahydroquinoline (PubChem CID 18504278) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 2-methyl-1,5,8,8a-tetrahydroquinoline.

Molecular Properties

Compound Name2-methyl-1,5,8,8a-tetrahydroquinoline
PubChem CID18504278
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name2-methyl-1,5,8,8a-tetrahydroquinoline
SMILESCC1=CC=C2CC=CCC2N1
InChIInChI=1S/C10H13N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-3,6-7,10-11H,4-5H2,1H3
InChIKeySBISFOMORSXLCE-UHFFFAOYSA-N
XLogP2.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,5,8,8a-tetrahydroquinoline?
The IUPAC name of 2-methyl-1,5,8,8a-tetrahydroquinoline (CID 18504278) is 2-methyl-1,5,8,8a-tetrahydroquinoline.
What is the SMILES notation for 2-methyl-1,5,8,8a-tetrahydroquinoline?
The canonical SMILES for 2-methyl-1,5,8,8a-tetrahydroquinoline is CC1=CC=C2CC=CCC2N1.
What is the InChIKey of 2-methyl-1,5,8,8a-tetrahydroquinoline?
The InChIKey is SBISFOMORSXLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-3,6-7,10-11H,4-5H2,1H3.
What are the key properties of 2-methyl-1,5,8,8a-tetrahydroquinoline?
2-methyl-1,5,8,8a-tetrahydroquinoline has a molecular weight of 147.22 g/mol, XLogP of 2.14, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,5,8,8a-tetrahydroquinoline is sourced from PubChem (CID 18504278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).