1-(1-bromoprop-1-en-2-yl)naphthalene

C13H11Br — CID 158497087

IUPAC1-(1-bromoprop-1-en-2-yl)naphthalene
SMILESCC(=CBr)c1cccc2ccccc12
InChIInChI=1S/C13H11Br/c1-10(9-14)12-8-4-6-11-5-2-3-7-13(11)12/h2-9H,1H3
InChIKeySSMVQLCOPLOIMP-UHFFFAOYSA-N
MW247.14 g/mol
LogP4.60
Rot. Bonds1

About 1-(1-bromoprop-1-en-2-yl)naphthalene

1-(1-bromoprop-1-en-2-yl)naphthalene (PubChem CID 158497087) has the molecular formula C13H11Br and a molecular weight of 247.14 g/mol. Its IUPAC name is 1-(1-bromoprop-1-en-2-yl)naphthalene.

Molecular Properties

Compound Name1-(1-bromoprop-1-en-2-yl)naphthalene
PubChem CID158497087
Molecular FormulaC13H11Br
Molecular Weight247.14 g/mol
Exact Mass246.00
IUPAC Name1-(1-bromoprop-1-en-2-yl)naphthalene
SMILESCC(=CBr)c1cccc2ccccc12
InChIInChI=1S/C13H11Br/c1-10(9-14)12-8-4-6-11-5-2-3-7-13(11)12/h2-9H,1H3
InChIKeySSMVQLCOPLOIMP-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.14
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(1-bromoprop-1-en-2-yl)naphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-3-naphthalen-1-ylbut-2-enal
CID 138583647
(Z)-4-naphthalen-1-ylpent-3-en-2-ol
CID 103971171
triethyl-[(E)-2-naphthalen-1-ylprop-1-enyl]silane
CID 101087823
1-naphthalen-1-ylethylidenezirconium(2+)
CID 158619381
1-oct-2-en-2-ylnaphthalene
CID 71332649
5-hexa-2,4-dien-2-ylbenzo[10]annulene
CID 123186746
azane;1-prop-1-en-2-ylnaphthalene
CID 122612227
2-[(E)-2-naphthalen-1-ylprop-1-enyl]pyridine
CID 90079269
naphthalene-1-carbonyl iodide
CID 87393513
1,3-dinaphthalen-1-ylpropane-1,2,3-trione
CID 67892351
2-iodo-1-naphthalen-1-ylbutane-1,3-dione
CID 165350066
3-chloro-2-methyl-3-naphthalen-1-ylprop-2-enenitrile
CID 76922351

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromoprop-1-en-2-yl)naphthalene?
The IUPAC name of 1-(1-bromoprop-1-en-2-yl)naphthalene (CID 158497087) is 1-(1-bromoprop-1-en-2-yl)naphthalene.
What is the SMILES notation for 1-(1-bromoprop-1-en-2-yl)naphthalene?
The canonical SMILES for 1-(1-bromoprop-1-en-2-yl)naphthalene is CC(=CBr)c1cccc2ccccc12.
What is the InChIKey of 1-(1-bromoprop-1-en-2-yl)naphthalene?
The InChIKey is SSMVQLCOPLOIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br/c1-10(9-14)12-8-4-6-11-5-2-3-7-13(11)12/h2-9H,1H3.
What are the key properties of 1-(1-bromoprop-1-en-2-yl)naphthalene?
1-(1-bromoprop-1-en-2-yl)naphthalene has a molecular weight of 247.14 g/mol, XLogP of 4.60, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromoprop-1-en-2-yl)naphthalene is sourced from PubChem (CID 158497087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).