2-acenaphthylen-5-ylguanidine

C13H11N3 — CID 67707512

IUPAC2-acenaphthylen-5-ylguanidine
SMILESNC(N)=Nc1ccc2c3c(cccc13)C=C2
InChIInChI=1S/C13H11N3/c14-13(15)16-11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-7H,(H4,14,15,16)
InChIKeyRMEYOKZRDLMQDJ-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.23
Rot. Bonds1

About 2-acenaphthylen-5-ylguanidine

2-acenaphthylen-5-ylguanidine (PubChem CID 67707512) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-acenaphthylen-5-ylguanidine.

Molecular Properties

Compound Name2-acenaphthylen-5-ylguanidine
PubChem CID67707512
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name2-acenaphthylen-5-ylguanidine
SMILESNC(N)=Nc1ccc2c3c(cccc13)C=C2
InChIInChI=1S/C13H11N3/c14-13(15)16-11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-7H,(H4,14,15,16)
InChIKeyRMEYOKZRDLMQDJ-UHFFFAOYSA-N
XLogP2.23
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-acenaphthylen-5-ylguanidine?
The IUPAC name of 2-acenaphthylen-5-ylguanidine (CID 67707512) is 2-acenaphthylen-5-ylguanidine.
What is the SMILES notation for 2-acenaphthylen-5-ylguanidine?
The canonical SMILES for 2-acenaphthylen-5-ylguanidine is NC(N)=Nc1ccc2c3c(cccc13)C=C2.
What is the InChIKey of 2-acenaphthylen-5-ylguanidine?
The InChIKey is RMEYOKZRDLMQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c14-13(15)16-11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-7H,(H4,14,15,16).
What are the key properties of 2-acenaphthylen-5-ylguanidine?
2-acenaphthylen-5-ylguanidine has a molecular weight of 209.25 g/mol, XLogP of 2.23, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acenaphthylen-5-ylguanidine is sourced from PubChem (CID 67707512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).