1-(1-methylpyrrol-2-yl)ethyldiazene

C7H11N3 — CID 91220370

IUPAC1-(1-methylpyrrol-2-yl)ethyldiazene
SMILES[H]/N=N/C(C)c1cccn1C
InChIInChI=1S/C7H11N3/c1-6(9-8)7-4-3-5-10(7)2/h3-6,8H,1-2H3/b9-8+
InChIKeyNONRTXDMXZWUMM-CMDGGOBGSA-N
MW137.19 g/mol
LogP2.12
Rot. Bonds2

About 1-(1-methylpyrrol-2-yl)ethyldiazene

1-(1-methylpyrrol-2-yl)ethyldiazene (PubChem CID 91220370) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 1-(1-methylpyrrol-2-yl)ethyldiazene.

Molecular Properties

Compound Name1-(1-methylpyrrol-2-yl)ethyldiazene
PubChem CID91220370
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name1-(1-methylpyrrol-2-yl)ethyldiazene
SMILES[H]/N=N/C(C)c1cccn1C
InChIInChI=1S/C7H11N3/c1-6(9-8)7-4-3-5-10(7)2/h3-6,8H,1-2H3/b9-8+
InChIKeyNONRTXDMXZWUMM-CMDGGOBGSA-N
XLogP2.12
TPSA41.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrol-2-yl)ethyldiazene?
The IUPAC name of 1-(1-methylpyrrol-2-yl)ethyldiazene (CID 91220370) is 1-(1-methylpyrrol-2-yl)ethyldiazene.
What is the SMILES notation for 1-(1-methylpyrrol-2-yl)ethyldiazene?
The canonical SMILES for 1-(1-methylpyrrol-2-yl)ethyldiazene is [H]/N=N/C(C)c1cccn1C.
What is the InChIKey of 1-(1-methylpyrrol-2-yl)ethyldiazene?
The InChIKey is NONRTXDMXZWUMM-CMDGGOBGSA-N. The full InChI is InChI=1S/C7H11N3/c1-6(9-8)7-4-3-5-10(7)2/h3-6,8H,1-2H3/b9-8+.
What are the key properties of 1-(1-methylpyrrol-2-yl)ethyldiazene?
1-(1-methylpyrrol-2-yl)ethyldiazene has a molecular weight of 137.19 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrol-2-yl)ethyldiazene is sourced from PubChem (CID 91220370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).