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

C15H13N3 — CID 169462599

IUPAC5-(3-azidoprop-1-enyl)-1,2-dihydroacenaphthylene
SMILES[N-]=[N+]=NCC=Cc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C15H13N3/c16-18-17-10-2-4-11-6-7-13-9-8-12-3-1-5-14(11)15(12)13/h1-7H,8-10H2
InChIKeyGEEIIZVNYQIPNG-UHFFFAOYSA-N
MW235.29 g/mol
LogP4.26
Rot. Bonds3

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

5-(3-azidoprop-1-enyl)-1,2-dihydroacenaphthylene (PubChem CID 169462599) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is 5-(3-azidoprop-1-enyl)-1,2-dihydroacenaphthylene.

Molecular Properties

Compound Name5-(3-azidoprop-1-enyl)-1,2-dihydroacenaphthylene
PubChem CID169462599
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name5-(3-azidoprop-1-enyl)-1,2-dihydroacenaphthylene
SMILES[N-]=[N+]=NCC=Cc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C15H13N3/c16-18-17-10-2-4-11-6-7-13-9-8-12-3-1-5-14(11)15(12)13/h1-7H,8-10H2
InChIKeyGEEIIZVNYQIPNG-UHFFFAOYSA-N
XLogP4.26
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

5-(3-bromoprop-1-enyl)-1,2-dihydroacenaphthylene
CID 169476332
S-[3-(1,2-dihydroacenaphthylen-5-yl)prop-2-enyl] ethanethioate
CID 169458118
4-(3-azidoprop-1-enyl)naphthalen-1-ol
CID 169462413
methyl 4-(1,2-dihydroacenaphthylen-5-yl)but-3-enoate
CID 170501790
N-[3-(1,2-dihydroacenaphthylen-5-yl)prop-2-enyl]acetamide
CID 169466362
8-(4-azidobut-1-enyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione
CID 170486268
1-(3-azidoprop-1-enyl)-3-chloro-2-methoxybenzene
CID 151588086
1-[(E)-3-azidoprop-1-enyl]-4-butoxynaphthalene
CID 159596769
ethyl 4-(1,2-dihydroacenaphthylen-5-yl)but-3-enoate
CID 170797038
4-(3-azidoprop-1-enyl)-1H-indazole
CID 169461875
2-(3-azidoprop-1-enyl)benzaldehyde
CID 169461381
3-(3-azidoprop-1-enyl)-1H-pyridin-2-one
CID 169461306

Frequently Asked Questions

What is the IUPAC name of 5-(3-azidoprop-1-enyl)-1,2-dihydroacenaphthylene?
The IUPAC name of 5-(3-azidoprop-1-enyl)-1,2-dihydroacenaphthylene (CID 169462599) is 5-(3-azidoprop-1-enyl)-1,2-dihydroacenaphthylene.
What is the SMILES notation for 5-(3-azidoprop-1-enyl)-1,2-dihydroacenaphthylene?
The canonical SMILES for 5-(3-azidoprop-1-enyl)-1,2-dihydroacenaphthylene is [N-]=[N+]=NCC=Cc1ccc2c3c(cccc13)CC2.
What is the InChIKey of 5-(3-azidoprop-1-enyl)-1,2-dihydroacenaphthylene?
The InChIKey is GEEIIZVNYQIPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c16-18-17-10-2-4-11-6-7-13-9-8-12-3-1-5-14(11)15(12)13/h1-7H,8-10H2.
What are the key properties of 5-(3-azidoprop-1-enyl)-1,2-dihydroacenaphthylene?
5-(3-azidoprop-1-enyl)-1,2-dihydroacenaphthylene has a molecular weight of 235.29 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-azidoprop-1-enyl)-1,2-dihydroacenaphthylene is sourced from PubChem (CID 169462599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).