[(E)-(1-methylpyrrolidin-2-ylidene)methyl]-phenyldiazene

C12H15N3 — CID 44579138

IUPAC[(E)-(1-methylpyrrolidin-2-ylidene)methyl]-phenyldiazene
SMILESCN1CCC/C1=C\N=N\c1ccccc1
InChIInChI=1S/C12H15N3/c1-15-9-5-8-12(15)10-13-14-11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3/b12-10+,14-13+
InChIKeyDYJVCRFIDJTHHA-HBKPYOMSSA-N
MW201.27 g/mol
LogP3.34
Rot. Bonds2

About [(E)-(1-methylpyrrolidin-2-ylidene)methyl]-phenyldiazene

[(E)-(1-methylpyrrolidin-2-ylidene)methyl]-phenyldiazene (PubChem CID 44579138) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is [(E)-(1-methylpyrrolidin-2-ylidene)methyl]-phenyldiazene.

Molecular Properties

Compound Name[(E)-(1-methylpyrrolidin-2-ylidene)methyl]-phenyldiazene
PubChem CID44579138
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name[(E)-(1-methylpyrrolidin-2-ylidene)methyl]-phenyldiazene
SMILESCN1CCC/C1=C\N=N\c1ccccc1
InChIInChI=1S/C12H15N3/c1-15-9-5-8-12(15)10-13-14-11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3/b12-10+,14-13+
InChIKeyDYJVCRFIDJTHHA-HBKPYOMSSA-N
XLogP3.34
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.34
H-Bond Donors ≤ 50
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 [(E)-(1-methylpyrrolidin-2-ylidene)methyl]-phenyldiazene?
The IUPAC name of [(E)-(1-methylpyrrolidin-2-ylidene)methyl]-phenyldiazene (CID 44579138) is [(E)-(1-methylpyrrolidin-2-ylidene)methyl]-phenyldiazene.
What is the SMILES notation for [(E)-(1-methylpyrrolidin-2-ylidene)methyl]-phenyldiazene?
The canonical SMILES for [(E)-(1-methylpyrrolidin-2-ylidene)methyl]-phenyldiazene is CN1CCC/C1=C\N=N\c1ccccc1.
What is the InChIKey of [(E)-(1-methylpyrrolidin-2-ylidene)methyl]-phenyldiazene?
The InChIKey is DYJVCRFIDJTHHA-HBKPYOMSSA-N. The full InChI is InChI=1S/C12H15N3/c1-15-9-5-8-12(15)10-13-14-11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3/b12-10+,14-13+.
What are the key properties of [(E)-(1-methylpyrrolidin-2-ylidene)methyl]-phenyldiazene?
[(E)-(1-methylpyrrolidin-2-ylidene)methyl]-phenyldiazene has a molecular weight of 201.27 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(1-methylpyrrolidin-2-ylidene)methyl]-phenyldiazene is sourced from PubChem (CID 44579138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).