6-but-3-enyl-7,8-dihydro-5H-1,6-naphthyridine

C12H16N2 — CID 3058695

IUPAC6-but-3-enyl-7,8-dihydro-5H-1,6-naphthyridine
SMILESC=CCCN1CCc2ncccc2C1
InChIInChI=1S/C12H16N2/c1-2-3-8-14-9-6-12-11(10-14)5-4-7-13-12/h2,4-5,7H,1,3,6,8-10H2
InChIKeyOXLOHMSPUMJGLD-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.02
Rot. Bonds3

About 6-but-3-enyl-7,8-dihydro-5H-1,6-naphthyridine

6-but-3-enyl-7,8-dihydro-5H-1,6-naphthyridine (PubChem CID 3058695) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 6-but-3-enyl-7,8-dihydro-5H-1,6-naphthyridine.

Molecular Properties

Compound Name6-but-3-enyl-7,8-dihydro-5H-1,6-naphthyridine
PubChem CID3058695
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name6-but-3-enyl-7,8-dihydro-5H-1,6-naphthyridine
SMILESC=CCCN1CCc2ncccc2C1
InChIInChI=1S/C12H16N2/c1-2-3-8-14-9-6-12-11(10-14)5-4-7-13-12/h2,4-5,7H,1,3,6,8-10H2
InChIKeyOXLOHMSPUMJGLD-UHFFFAOYSA-N
XLogP2.02
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.02
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 6-but-3-enyl-7,8-dihydro-5H-1,6-naphthyridine?
The IUPAC name of 6-but-3-enyl-7,8-dihydro-5H-1,6-naphthyridine (CID 3058695) is 6-but-3-enyl-7,8-dihydro-5H-1,6-naphthyridine.
What is the SMILES notation for 6-but-3-enyl-7,8-dihydro-5H-1,6-naphthyridine?
The canonical SMILES for 6-but-3-enyl-7,8-dihydro-5H-1,6-naphthyridine is C=CCCN1CCc2ncccc2C1.
What is the InChIKey of 6-but-3-enyl-7,8-dihydro-5H-1,6-naphthyridine?
The InChIKey is OXLOHMSPUMJGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-2-3-8-14-9-6-12-11(10-14)5-4-7-13-12/h2,4-5,7H,1,3,6,8-10H2.
What are the key properties of 6-but-3-enyl-7,8-dihydro-5H-1,6-naphthyridine?
6-but-3-enyl-7,8-dihydro-5H-1,6-naphthyridine has a molecular weight of 188.27 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-3-enyl-7,8-dihydro-5H-1,6-naphthyridine is sourced from PubChem (CID 3058695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).