phenyl(1H-pyrrol-2-ylmethyl)diazene

C11H11N3 — CID 91262668

IUPACphenyl(1H-pyrrol-2-ylmethyl)diazene
SMILESc1ccc(/N=N/Cc2ccc[nH]2)cc1
InChIInChI=1S/C11H11N3/c1-2-5-10(6-3-1)14-13-9-11-7-4-8-12-11/h1-8,12H,9H2/b14-13+
InChIKeyYSCCEONKAQBESG-BUHFOSPRSA-N
MW185.23 g/mol
LogP3.30
Rot. Bonds3

About phenyl(1H-pyrrol-2-ylmethyl)diazene

phenyl(1H-pyrrol-2-ylmethyl)diazene (PubChem CID 91262668) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is phenyl(1H-pyrrol-2-ylmethyl)diazene.

Molecular Properties

Compound Namephenyl(1H-pyrrol-2-ylmethyl)diazene
PubChem CID91262668
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Namephenyl(1H-pyrrol-2-ylmethyl)diazene
SMILESc1ccc(/N=N/Cc2ccc[nH]2)cc1
InChIInChI=1S/C11H11N3/c1-2-5-10(6-3-1)14-13-9-11-7-4-8-12-11/h1-8,12H,9H2/b14-13+
InChIKeyYSCCEONKAQBESG-BUHFOSPRSA-N
XLogP3.30
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,6-dichlorophenyl)methyl-phenyldiazene
CID 54361254
potassium 1H-pyrrol-2-ylmethanolate
CID 140988269
(4-methylphenyl)methyl-phenyldiazene
CID 13049562
phenyl(pyridin-2-ylmethyl)diazene
CID 54008576
furan-2-ylmethyl(phenyl)diazene
CID 54435222
2-ethyl-1H-pyrrole;hydrobromide
CID 174918112
N-phenyl-1-(1H-pyrrol-2-yl)methanimine
CID 139135949
diphenyldiazene;hydrofluoride
CID 174857584
N,N-dimethyl-4-(phenyldiazenylmethyl)aniline
CID 91244696
N-methyl-2-(1H-pyrrol-2-yl)ethanimine
CID 118517392
methane;1H-pyrrol-2-ylmethanamine
CID 162272370
bis(diphenyldiazene);uranium;vanadium
CID 158886927

Frequently Asked Questions

What is the IUPAC name of phenyl(1H-pyrrol-2-ylmethyl)diazene?
The IUPAC name of phenyl(1H-pyrrol-2-ylmethyl)diazene (CID 91262668) is phenyl(1H-pyrrol-2-ylmethyl)diazene.
What is the SMILES notation for phenyl(1H-pyrrol-2-ylmethyl)diazene?
The canonical SMILES for phenyl(1H-pyrrol-2-ylmethyl)diazene is c1ccc(/N=N/Cc2ccc[nH]2)cc1.
What is the InChIKey of phenyl(1H-pyrrol-2-ylmethyl)diazene?
The InChIKey is YSCCEONKAQBESG-BUHFOSPRSA-N. The full InChI is InChI=1S/C11H11N3/c1-2-5-10(6-3-1)14-13-9-11-7-4-8-12-11/h1-8,12H,9H2/b14-13+.
What are the key properties of phenyl(1H-pyrrol-2-ylmethyl)diazene?
phenyl(1H-pyrrol-2-ylmethyl)diazene has a molecular weight of 185.23 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(1H-pyrrol-2-ylmethyl)diazene is sourced from PubChem (CID 91262668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).