5-(3-bromoprop-1-enyl)-1,2-dihydroacenaphthylene

C15H13Br — CID 169476332

IUPAC5-(3-bromoprop-1-enyl)-1,2-dihydroacenaphthylene
SMILESBrCC=Cc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C15H13Br/c16-10-2-4-11-6-7-13-9-8-12-3-1-5-14(11)15(12)13/h1-7H,8-10H2
InChIKeyCNTKWIBMKNXFDA-UHFFFAOYSA-N
MW273.17 g/mol
LogP4.35
Rot. Bonds2

About 5-(3-bromoprop-1-enyl)-1,2-dihydroacenaphthylene

5-(3-bromoprop-1-enyl)-1,2-dihydroacenaphthylene (PubChem CID 169476332) has the molecular formula C15H13Br and a molecular weight of 273.17 g/mol. Its IUPAC name is 5-(3-bromoprop-1-enyl)-1,2-dihydroacenaphthylene.

Molecular Properties

Compound Name5-(3-bromoprop-1-enyl)-1,2-dihydroacenaphthylene
PubChem CID169476332
Molecular FormulaC15H13Br
Molecular Weight273.17 g/mol
Exact Mass272.02
IUPAC Name5-(3-bromoprop-1-enyl)-1,2-dihydroacenaphthylene
SMILESBrCC=Cc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C15H13Br/c16-10-2-4-11-6-7-13-9-8-12-3-1-5-14(11)15(12)13/h1-7H,8-10H2
InChIKeyCNTKWIBMKNXFDA-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-(3-azidoprop-1-enyl)-1,2-dihydroacenaphthylene
CID 169462599
N-[3-(1,2-dihydroacenaphthylen-5-yl)prop-2-enyl]acetamide
CID 169466362
methyl 4-(1,2-dihydroacenaphthylen-5-yl)but-3-enoate
CID 170501790
S-[3-(1,2-dihydroacenaphthylen-5-yl)prop-2-enyl] ethanethioate
CID 169458118
ethyl 4-(1,2-dihydroacenaphthylen-5-yl)but-3-enoate
CID 170797038
methyl 3-(1,2-dihydroacenaphthylen-5-yl)prop-2-enoate
CID 169479674
1-[(1E,6E)-7-pyren-1-ylhepta-1,6-dienyl]pyrene
CID 132511526
3-(3-bromoprop-1-enyl)bicyclo[4.2.0]octa-1(6),2,4-triene
CID 169475031
1,2-dihydroacenaphthylen-5-ylmethanethiol
CID 4002938
1-(3-bromoprop-1-enyl)-3-fluoro-2-methoxybenzene
CID 169475359
3-(1,2-dihydroacenaphthylen-5-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-ol
CID 170802245
2-amino-6-(3-bromoprop-1-enyl)phenol
CID 169475273

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromoprop-1-enyl)-1,2-dihydroacenaphthylene?
The IUPAC name of 5-(3-bromoprop-1-enyl)-1,2-dihydroacenaphthylene (CID 169476332) is 5-(3-bromoprop-1-enyl)-1,2-dihydroacenaphthylene.
What is the SMILES notation for 5-(3-bromoprop-1-enyl)-1,2-dihydroacenaphthylene?
The canonical SMILES for 5-(3-bromoprop-1-enyl)-1,2-dihydroacenaphthylene is BrCC=Cc1ccc2c3c(cccc13)CC2.
What is the InChIKey of 5-(3-bromoprop-1-enyl)-1,2-dihydroacenaphthylene?
The InChIKey is CNTKWIBMKNXFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br/c16-10-2-4-11-6-7-13-9-8-12-3-1-5-14(11)15(12)13/h1-7H,8-10H2.
What are the key properties of 5-(3-bromoprop-1-enyl)-1,2-dihydroacenaphthylene?
5-(3-bromoprop-1-enyl)-1,2-dihydroacenaphthylene has a molecular weight of 273.17 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromoprop-1-enyl)-1,2-dihydroacenaphthylene is sourced from PubChem (CID 169476332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).