(Z)-3-azido-3-naphthalen-2-ylprop-2-enal

C13H9N3O — CID 24828662

IUPAC(Z)-3-azido-3-naphthalen-2-ylprop-2-enal
SMILES[N-]=[N+]=N/C(=C\C=O)c1ccc2ccccc2c1
InChIInChI=1S/C13H9N3O/c14-16-15-13(7-8-17)12-6-5-10-3-1-2-4-11(10)9-12/h1-9H/b13-7-
InChIKeyKIYWENCAMHFKLJ-QPEQYQDCSA-N
MW223.24 g/mol
LogP3.69
Rot. Bonds3

About (Z)-3-azido-3-naphthalen-2-ylprop-2-enal

(Z)-3-azido-3-naphthalen-2-ylprop-2-enal (PubChem CID 24828662) has the molecular formula C13H9N3O and a molecular weight of 223.24 g/mol. Its IUPAC name is (Z)-3-azido-3-naphthalen-2-ylprop-2-enal.

Molecular Properties

Compound Name(Z)-3-azido-3-naphthalen-2-ylprop-2-enal
PubChem CID24828662
Molecular FormulaC13H9N3O
Molecular Weight223.24 g/mol
Exact Mass223.07
IUPAC Name(Z)-3-azido-3-naphthalen-2-ylprop-2-enal
SMILES[N-]=[N+]=N/C(=C\C=O)c1ccc2ccccc2c1
InChIInChI=1S/C13H9N3O/c14-16-15-13(7-8-17)12-6-5-10-3-1-2-4-11(10)9-12/h1-9H/b13-7-
InChIKeyKIYWENCAMHFKLJ-QPEQYQDCSA-N
XLogP3.69
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-azido-3-naphthalen-2-ylprop-2-enal?
The IUPAC name of (Z)-3-azido-3-naphthalen-2-ylprop-2-enal (CID 24828662) is (Z)-3-azido-3-naphthalen-2-ylprop-2-enal.
What is the SMILES notation for (Z)-3-azido-3-naphthalen-2-ylprop-2-enal?
The canonical SMILES for (Z)-3-azido-3-naphthalen-2-ylprop-2-enal is [N-]=[N+]=N/C(=C\C=O)c1ccc2ccccc2c1.
What is the InChIKey of (Z)-3-azido-3-naphthalen-2-ylprop-2-enal?
The InChIKey is KIYWENCAMHFKLJ-QPEQYQDCSA-N. The full InChI is InChI=1S/C13H9N3O/c14-16-15-13(7-8-17)12-6-5-10-3-1-2-4-11(10)9-12/h1-9H/b13-7-.
What are the key properties of (Z)-3-azido-3-naphthalen-2-ylprop-2-enal?
(Z)-3-azido-3-naphthalen-2-ylprop-2-enal has a molecular weight of 223.24 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-azido-3-naphthalen-2-ylprop-2-enal is sourced from PubChem (CID 24828662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).