6-[(2E)-2-ethenylpenta-2,4-dienyl]-7,8-dihydro-5H-1,6-naphthyridine

C15H18N2 — CID 177022160

IUPAC6-[(2E)-2-ethenylpenta-2,4-dienyl]-7,8-dihydro-5H-1,6-naphthyridine
SMILESC=C/C=C(\C=C)CN1CCc2ncccc2C1
InChIInChI=1S/C15H18N2/c1-3-6-13(4-2)11-17-10-8-15-14(12-17)7-5-9-16-15/h3-7,9H,1-2,8,10-12H2/b13-6+
InChIKeyXBGNFANQQQFXEP-AWNIVKPZSA-N
MW226.32 g/mol
LogP2.74
Rot. Bonds4

About 6-[(2E)-2-ethenylpenta-2,4-dienyl]-7,8-dihydro-5H-1,6-naphthyridine

6-[(2E)-2-ethenylpenta-2,4-dienyl]-7,8-dihydro-5H-1,6-naphthyridine (PubChem CID 177022160) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 6-[(2E)-2-ethenylpenta-2,4-dienyl]-7,8-dihydro-5H-1,6-naphthyridine.

Molecular Properties

Compound Name6-[(2E)-2-ethenylpenta-2,4-dienyl]-7,8-dihydro-5H-1,6-naphthyridine
PubChem CID177022160
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name6-[(2E)-2-ethenylpenta-2,4-dienyl]-7,8-dihydro-5H-1,6-naphthyridine
SMILESC=C/C=C(\C=C)CN1CCc2ncccc2C1
InChIInChI=1S/C15H18N2/c1-3-6-13(4-2)11-17-10-8-15-14(12-17)7-5-9-16-15/h3-7,9H,1-2,8,10-12H2/b13-6+
InChIKeyXBGNFANQQQFXEP-AWNIVKPZSA-N
XLogP2.74
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.74
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 6-[(2E)-2-ethenylpenta-2,4-dienyl]-7,8-dihydro-5H-1,6-naphthyridine?
The IUPAC name of 6-[(2E)-2-ethenylpenta-2,4-dienyl]-7,8-dihydro-5H-1,6-naphthyridine (CID 177022160) is 6-[(2E)-2-ethenylpenta-2,4-dienyl]-7,8-dihydro-5H-1,6-naphthyridine.
What is the SMILES notation for 6-[(2E)-2-ethenylpenta-2,4-dienyl]-7,8-dihydro-5H-1,6-naphthyridine?
The canonical SMILES for 6-[(2E)-2-ethenylpenta-2,4-dienyl]-7,8-dihydro-5H-1,6-naphthyridine is C=C/C=C(\C=C)CN1CCc2ncccc2C1.
What is the InChIKey of 6-[(2E)-2-ethenylpenta-2,4-dienyl]-7,8-dihydro-5H-1,6-naphthyridine?
The InChIKey is XBGNFANQQQFXEP-AWNIVKPZSA-N. The full InChI is InChI=1S/C15H18N2/c1-3-6-13(4-2)11-17-10-8-15-14(12-17)7-5-9-16-15/h3-7,9H,1-2,8,10-12H2/b13-6+.
What are the key properties of 6-[(2E)-2-ethenylpenta-2,4-dienyl]-7,8-dihydro-5H-1,6-naphthyridine?
6-[(2E)-2-ethenylpenta-2,4-dienyl]-7,8-dihydro-5H-1,6-naphthyridine has a molecular weight of 226.32 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2E)-2-ethenylpenta-2,4-dienyl]-7,8-dihydro-5H-1,6-naphthyridine is sourced from PubChem (CID 177022160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).