1-methyl-4a,8a-dihydro-2H-1,5-naphthyridine

C9H12N2 — CID 166864798

IUPAC1-methyl-4a,8a-dihydro-2H-1,5-naphthyridine
SMILESCN1CC=CC2N=CC=CC21
InChIInChI=1S/C9H12N2/c1-11-7-3-4-8-9(11)5-2-6-10-8/h2-6,8-9H,7H2,1H3
InChIKeyZULNYBAIFWSPGG-UHFFFAOYSA-N
MW148.21 g/mol
LogP0.87
Rot. Bonds

About 1-methyl-4a,8a-dihydro-2H-1,5-naphthyridine

1-methyl-4a,8a-dihydro-2H-1,5-naphthyridine (PubChem CID 166864798) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 1-methyl-4a,8a-dihydro-2H-1,5-naphthyridine.

Molecular Properties

Compound Name1-methyl-4a,8a-dihydro-2H-1,5-naphthyridine
PubChem CID166864798
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name1-methyl-4a,8a-dihydro-2H-1,5-naphthyridine
SMILESCN1CC=CC2N=CC=CC21
InChIInChI=1S/C9H12N2/c1-11-7-3-4-8-9(11)5-2-6-10-8/h2-6,8-9H,7H2,1H3
InChIKeyZULNYBAIFWSPGG-UHFFFAOYSA-N
XLogP0.87
TPSA15.60 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 ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-methyl-4a,8a-dihydro-2H-1,5-naphthyridine?
The IUPAC name of 1-methyl-4a,8a-dihydro-2H-1,5-naphthyridine (CID 166864798) is 1-methyl-4a,8a-dihydro-2H-1,5-naphthyridine.
What is the SMILES notation for 1-methyl-4a,8a-dihydro-2H-1,5-naphthyridine?
The canonical SMILES for 1-methyl-4a,8a-dihydro-2H-1,5-naphthyridine is CN1CC=CC2N=CC=CC21.
What is the InChIKey of 1-methyl-4a,8a-dihydro-2H-1,5-naphthyridine?
The InChIKey is ZULNYBAIFWSPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-11-7-3-4-8-9(11)5-2-6-10-8/h2-6,8-9H,7H2,1H3.
What are the key properties of 1-methyl-4a,8a-dihydro-2H-1,5-naphthyridine?
1-methyl-4a,8a-dihydro-2H-1,5-naphthyridine has a molecular weight of 148.21 g/mol, XLogP of 0.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4a,8a-dihydro-2H-1,5-naphthyridine is sourced from PubChem (CID 166864798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).