5-ethyl-6-prop-2-enyl-2,7-dihydro-1H-1,8-naphthyridine

C13H16N2 — CID 176530268

IUPAC5-ethyl-6-prop-2-enyl-2,7-dihydro-1H-1,8-naphthyridine
SMILESC=CCC1=C(CC)C2=C=CCNC2=NC1
InChIInChI=1S/C13H16N2/c1-3-6-10-9-15-13-12(11(10)4-2)7-5-8-14-13/h3,5H,1,4,6,8-9H2,2H3,(H,14,15)
InChIKeyGVIOCPWDOPYQMR-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.37
Rot. Bonds3

About 5-ethyl-6-prop-2-enyl-2,7-dihydro-1H-1,8-naphthyridine

5-ethyl-6-prop-2-enyl-2,7-dihydro-1H-1,8-naphthyridine (PubChem CID 176530268) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 5-ethyl-6-prop-2-enyl-2,7-dihydro-1H-1,8-naphthyridine.

Molecular Properties

Compound Name5-ethyl-6-prop-2-enyl-2,7-dihydro-1H-1,8-naphthyridine
PubChem CID176530268
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name5-ethyl-6-prop-2-enyl-2,7-dihydro-1H-1,8-naphthyridine
SMILESC=CCC1=C(CC)C2=C=CCNC2=NC1
InChIInChI=1S/C13H16N2/c1-3-6-10-9-15-13-12(11(10)4-2)7-5-8-14-13/h3,5H,1,4,6,8-9H2,2H3,(H,14,15)
InChIKeyGVIOCPWDOPYQMR-UHFFFAOYSA-N
XLogP2.37
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5Z,7E)-7-(1,1-difluoroethyl)-2-[(2E,6E)-7-fluoro-6-methylocta-2,6-dien-3-yl]-4,9-dihydro-1H-1,3-diazonine
CID 144356641
2-cyclohexa-1,3-dien-1-yl-4,5-dihydro-1H-imidazole
CID 20467551
2-Phenyl-1,4,5,6-tetrahydropyrimidine;yttrium
CID 60071978
N-pentyl-2,3-dihydropyridin-6-amine
CID 67716703
1,2,3,5,6,7-Hexahydro-1,8-naphthyridine
CID 89343384
8-methyl-4H-cyclopenta[c][1,8]naphthyridine
CID 91205102
7-ethyl-2,3,4,8-tetrahydro-1H-pyrido[2,3-b]azepine
CID 91251223
2-[(5Z,7Z)-2-[(3Z)-penta-1,3-dien-2-yl]-4,9-dihydro-1H-1,3-diazonin-5-yl]prop-2-en-1-amine
CID 118186576
2-[(Z,4E)-4-cyclohexa-2,4-dien-1-ylidenebut-2-enyl]-4,6-dimethyl-1,4-dihydro-1,3,5-triazine
CID 122600421
2-(4-methylcyclohexa-1,3-dien-1-yl)-4,5-dihydro-1H-imidazole
CID 123159780
N-[4-(dimethylamino)cyclohexyl]-N'-methyl-2-methylidenehex-3-enimidamide
CID 123352395
N-(4-aminocyclohexyl)-N'-methyl-2-methylidenehex-3-enimidamide
CID 123507286

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-prop-2-enyl-2,7-dihydro-1H-1,8-naphthyridine?
The IUPAC name of 5-ethyl-6-prop-2-enyl-2,7-dihydro-1H-1,8-naphthyridine (CID 176530268) is 5-ethyl-6-prop-2-enyl-2,7-dihydro-1H-1,8-naphthyridine.
What is the SMILES notation for 5-ethyl-6-prop-2-enyl-2,7-dihydro-1H-1,8-naphthyridine?
The canonical SMILES for 5-ethyl-6-prop-2-enyl-2,7-dihydro-1H-1,8-naphthyridine is C=CCC1=C(CC)C2=C=CCNC2=NC1.
What is the InChIKey of 5-ethyl-6-prop-2-enyl-2,7-dihydro-1H-1,8-naphthyridine?
The InChIKey is GVIOCPWDOPYQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-3-6-10-9-15-13-12(11(10)4-2)7-5-8-14-13/h3,5H,1,4,6,8-9H2,2H3,(H,14,15).
What are the key properties of 5-ethyl-6-prop-2-enyl-2,7-dihydro-1H-1,8-naphthyridine?
5-ethyl-6-prop-2-enyl-2,7-dihydro-1H-1,8-naphthyridine has a molecular weight of 200.28 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-prop-2-enyl-2,7-dihydro-1H-1,8-naphthyridine is sourced from PubChem (CID 176530268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).