5-methyl-6-methylidene-2-[(3E)-penta-1,3-dien-3-yl]-2,3-dihydro-1,5-naphthyridine

C15H18N2 — CID 130443356

IUPAC5-methyl-6-methylidene-2-[(3E)-penta-1,3-dien-3-yl]-2,3-dihydro-1,5-naphthyridine
SMILESC=C/C(=C\C)C1CC=C2C(=N1)C=CC(=C)N2C
InChIInChI=1S/C15H18N2/c1-5-12(6-2)13-9-10-15-14(16-13)8-7-11(3)17(15)4/h5-8,10,13H,1,3,9H2,2,4H3/b12-6+
InChIKeyOHYLSJRLAJDYHP-WUXMJOGZSA-N
MW226.32 g/mol
LogP3.23
Rot. Bonds2

About 5-methyl-6-methylidene-2-[(3E)-penta-1,3-dien-3-yl]-2,3-dihydro-1,5-naphthyridine

5-methyl-6-methylidene-2-[(3E)-penta-1,3-dien-3-yl]-2,3-dihydro-1,5-naphthyridine (PubChem CID 130443356) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 5-methyl-6-methylidene-2-[(3E)-penta-1,3-dien-3-yl]-2,3-dihydro-1,5-naphthyridine.

Molecular Properties

Compound Name5-methyl-6-methylidene-2-[(3E)-penta-1,3-dien-3-yl]-2,3-dihydro-1,5-naphthyridine
PubChem CID130443356
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name5-methyl-6-methylidene-2-[(3E)-penta-1,3-dien-3-yl]-2,3-dihydro-1,5-naphthyridine
SMILESC=C/C(=C\C)C1CC=C2C(=N1)C=CC(=C)N2C
InChIInChI=1S/C15H18N2/c1-5-12(6-2)13-9-10-15-14(16-13)8-7-11(3)17(15)4/h5-8,10,13H,1,3,9H2,2,4H3/b12-6+
InChIKeyOHYLSJRLAJDYHP-WUXMJOGZSA-N
XLogP3.23
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-methylidene-2-[(3E)-penta-1,3-dien-3-yl]-2,3-dihydro-1,5-naphthyridine?
The IUPAC name of 5-methyl-6-methylidene-2-[(3E)-penta-1,3-dien-3-yl]-2,3-dihydro-1,5-naphthyridine (CID 130443356) is 5-methyl-6-methylidene-2-[(3E)-penta-1,3-dien-3-yl]-2,3-dihydro-1,5-naphthyridine.
What is the SMILES notation for 5-methyl-6-methylidene-2-[(3E)-penta-1,3-dien-3-yl]-2,3-dihydro-1,5-naphthyridine?
The canonical SMILES for 5-methyl-6-methylidene-2-[(3E)-penta-1,3-dien-3-yl]-2,3-dihydro-1,5-naphthyridine is C=C/C(=C\C)C1CC=C2C(=N1)C=CC(=C)N2C.
What is the InChIKey of 5-methyl-6-methylidene-2-[(3E)-penta-1,3-dien-3-yl]-2,3-dihydro-1,5-naphthyridine?
The InChIKey is OHYLSJRLAJDYHP-WUXMJOGZSA-N. The full InChI is InChI=1S/C15H18N2/c1-5-12(6-2)13-9-10-15-14(16-13)8-7-11(3)17(15)4/h5-8,10,13H,1,3,9H2,2,4H3/b12-6+.
What are the key properties of 5-methyl-6-methylidene-2-[(3E)-penta-1,3-dien-3-yl]-2,3-dihydro-1,5-naphthyridine?
5-methyl-6-methylidene-2-[(3E)-penta-1,3-dien-3-yl]-2,3-dihydro-1,5-naphthyridine has a molecular weight of 226.32 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-methylidene-2-[(3E)-penta-1,3-dien-3-yl]-2,3-dihydro-1,5-naphthyridine is sourced from PubChem (CID 130443356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).