1-pent-1-en-4-ynylnaphthalene

C15H12 — CID 175469906

IUPAC1-pent-1-en-4-ynylnaphthalene
SMILESC#CCC=Cc1cccc2ccccc12
InChIInChI=1S/C15H12/c1-2-3-4-8-13-10-7-11-14-9-5-6-12-15(13)14/h1,4-12H,3H2
InChIKeyNCGUPVAJBBFPLM-UHFFFAOYSA-N
MW192.26 g/mol
LogP3.88
Rot. Bonds2

About 1-pent-1-en-4-ynylnaphthalene

1-pent-1-en-4-ynylnaphthalene (PubChem CID 175469906) has the molecular formula C15H12 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-pent-1-en-4-ynylnaphthalene.

Molecular Properties

Compound Name1-pent-1-en-4-ynylnaphthalene
PubChem CID175469906
Molecular FormulaC15H12
Molecular Weight192.26 g/mol
Exact Mass192.09
IUPAC Name1-pent-1-en-4-ynylnaphthalene
SMILESC#CCC=Cc1cccc2ccccc12
InChIInChI=1S/C15H12/c1-2-3-4-8-13-10-7-11-14-9-5-6-12-15(13)14/h1,4-12H,3H2
InChIKeyNCGUPVAJBBFPLM-UHFFFAOYSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-but-1-en-3-ynyl]naphthalene
CID 12516867
ethane;2-[(E)-pent-1-en-4-ynyl]aniline
CID 154691361
1-[2-[2,4,5-tris(2-naphthalen-1-ylethenyl)phenyl]ethenyl]naphthalene
CID 139835020
2-naphthalen-1-ylethenamine
CID 69243468
1-(2-bromoethenyl)naphthalene
CID 71403351
2-[(1Z,4E)-5-naphthalen-1-ylpenta-1,4-dienyl]aniline
CID 101480114
1-[(E)-2-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]ethenyl]naphthalene
CID 139196261
9-(2-naphthalen-1-ylethenyl)anthracene
CID 630261
9-[(E)-2-naphthalen-1-ylethenyl]anthracene
CID 139205427
1-[(Z)-6-chlorohex-1-enyl]naphthalene
CID 11842886
CID 140618692
CID 140618692
1-[2-[2-(2-phenylethenyl)phenyl]ethenyl]naphthalene
CID 71399192

Frequently Asked Questions

What is the IUPAC name of 1-pent-1-en-4-ynylnaphthalene?
The IUPAC name of 1-pent-1-en-4-ynylnaphthalene (CID 175469906) is 1-pent-1-en-4-ynylnaphthalene.
What is the SMILES notation for 1-pent-1-en-4-ynylnaphthalene?
The canonical SMILES for 1-pent-1-en-4-ynylnaphthalene is C#CCC=Cc1cccc2ccccc12.
What is the InChIKey of 1-pent-1-en-4-ynylnaphthalene?
The InChIKey is NCGUPVAJBBFPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12/c1-2-3-4-8-13-10-7-11-14-9-5-6-12-15(13)14/h1,4-12H,3H2.
What are the key properties of 1-pent-1-en-4-ynylnaphthalene?
1-pent-1-en-4-ynylnaphthalene has a molecular weight of 192.26 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-1-en-4-ynylnaphthalene is sourced from PubChem (CID 175469906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).