1-[(Z)-2-bromobut-1-en-3-ynyl]naphthalene

C14H9Br — CID 101059606

IUPAC1-[(Z)-2-bromobut-1-en-3-ynyl]naphthalene
SMILESC#C/C(Br)=C/c1cccc2ccccc12
InChIInChI=1S/C14H9Br/c1-2-13(15)10-12-8-5-7-11-6-3-4-9-14(11)12/h1,3-10H/b13-10-
InChIKeyZPXJUQCGBOXXRL-RAXLEYEMSA-N
MW257.13 g/mol
LogP4.21
Rot. Bonds1

About 1-[(Z)-2-bromobut-1-en-3-ynyl]naphthalene

1-[(Z)-2-bromobut-1-en-3-ynyl]naphthalene (PubChem CID 101059606) has the molecular formula C14H9Br and a molecular weight of 257.13 g/mol. Its IUPAC name is 1-[(Z)-2-bromobut-1-en-3-ynyl]naphthalene.

Molecular Properties

Compound Name1-[(Z)-2-bromobut-1-en-3-ynyl]naphthalene
PubChem CID101059606
Molecular FormulaC14H9Br
Molecular Weight257.13 g/mol
Exact Mass255.99
IUPAC Name1-[(Z)-2-bromobut-1-en-3-ynyl]naphthalene
SMILESC#C/C(Br)=C/c1cccc2ccccc12
InChIInChI=1S/C14H9Br/c1-2-13(15)10-12-8-5-7-11-6-3-4-9-14(11)12/h1,3-10H/b13-10-
InChIKeyZPXJUQCGBOXXRL-RAXLEYEMSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 54.21
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-(2,2-dibromoethenyl)naphthalene
CID 12642645
(Z)-2-bromo-3-naphthalen-1-ylprop-2-enal
CID 101086332
1,4-dinaphthalen-1-ylbuta-1,3-diene-2,3-diamine
CID 87961483
(E)-3-naphthalen-1-yl-2-phenylprop-2-enenitrile
CID 7372758
1-(3-bromo-2-methylprop-1-enyl)naphthalene
CID 79323656
2-(2,6-dichlorophenyl)-3-naphthalen-1-ylprop-2-enenitrile
CID 4600650
1-[(E)-but-1-en-3-ynyl]naphthalene
CID 12516867
1-(2,2-difluoroethenyl)naphthalene;ethane
CID 91067867
1-[2-(bromomethyl)-3-methylbut-1-enyl]naphthalene
CID 79323139
1-(2-bromoethenyl)naphthalene
CID 71403351
1-pent-1-en-4-ynylnaphthalene
CID 175469906
(Z)-2-fluoro-3-naphthalen-1-ylprop-2-enal
CID 11019877

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-bromobut-1-en-3-ynyl]naphthalene?
The IUPAC name of 1-[(Z)-2-bromobut-1-en-3-ynyl]naphthalene (CID 101059606) is 1-[(Z)-2-bromobut-1-en-3-ynyl]naphthalene.
What is the SMILES notation for 1-[(Z)-2-bromobut-1-en-3-ynyl]naphthalene?
The canonical SMILES for 1-[(Z)-2-bromobut-1-en-3-ynyl]naphthalene is C#C/C(Br)=C/c1cccc2ccccc12.
What is the InChIKey of 1-[(Z)-2-bromobut-1-en-3-ynyl]naphthalene?
The InChIKey is ZPXJUQCGBOXXRL-RAXLEYEMSA-N. The full InChI is InChI=1S/C14H9Br/c1-2-13(15)10-12-8-5-7-11-6-3-4-9-14(11)12/h1,3-10H/b13-10-.
What are the key properties of 1-[(Z)-2-bromobut-1-en-3-ynyl]naphthalene?
1-[(Z)-2-bromobut-1-en-3-ynyl]naphthalene has a molecular weight of 257.13 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-bromobut-1-en-3-ynyl]naphthalene is sourced from PubChem (CID 101059606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).