1-(diazomethyl)pyrene

C17H10N2 — CID 2762674

IUPAC1-(diazomethyl)pyrene
SMILES[N-]=[N+]=Cc1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C17H10N2/c18-19-10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)17(13)16(11)12/h1-10H
InChIKeyPEIBAWRLFPGPAT-UHFFFAOYSA-N
MW242.28 g/mol
LogP4.23
Rot. Bonds1

About 1-(diazomethyl)pyrene

1-(diazomethyl)pyrene (PubChem CID 2762674) has the molecular formula C17H10N2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-(diazomethyl)pyrene.

Molecular Properties

Compound Name1-(diazomethyl)pyrene
PubChem CID2762674
Molecular FormulaC17H10N2
Molecular Weight242.28 g/mol
Exact Mass242.08
IUPAC Name1-(diazomethyl)pyrene
SMILES[N-]=[N+]=Cc1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C17H10N2/c18-19-10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)17(13)16(11)12/h1-10H
InChIKeyPEIBAWRLFPGPAT-UHFFFAOYSA-N
XLogP4.23
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(diazomethyl)pyrene?
The IUPAC name of 1-(diazomethyl)pyrene (CID 2762674) is 1-(diazomethyl)pyrene.
What is the SMILES notation for 1-(diazomethyl)pyrene?
The canonical SMILES for 1-(diazomethyl)pyrene is [N-]=[N+]=Cc1ccc2ccc3cccc4ccc1c2c34.
What is the InChIKey of 1-(diazomethyl)pyrene?
The InChIKey is PEIBAWRLFPGPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N2/c18-19-10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)17(13)16(11)12/h1-10H.
What are the key properties of 1-(diazomethyl)pyrene?
1-(diazomethyl)pyrene has a molecular weight of 242.28 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diazomethyl)pyrene is sourced from PubChem (CID 2762674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).