1-phenyl-2-(5-pyrrolidin-1-ium-1-ylcyclohexa-1,5-dien-1-yl)hydrazine

C16H22N3+ — CID 2317469

IUPAC1-phenyl-2-(5-pyrrolidin-1-ium-1-ylcyclohexa-1,5-dien-1-yl)hydrazine
SMILESC1=C(NNc2ccccc2)C=C([NH+]2CCCC2)CC1
InChIInChI=1S/C16H21N3/c1-2-7-14(8-3-1)17-18-15-9-6-10-16(13-15)19-11-4-5-12-19/h1-3,7-9,13,17-18H,4-6,10-12H2/p+1
InChIKeyWODMZXOQANFCGA-UHFFFAOYSA-O
MW256.37 g/mol
LogP1.84
Rot. Bonds4

About 1-phenyl-2-(5-pyrrolidin-1-ium-1-ylcyclohexa-1,5-dien-1-yl)hydrazine

1-phenyl-2-(5-pyrrolidin-1-ium-1-ylcyclohexa-1,5-dien-1-yl)hydrazine (PubChem CID 2317469) has the molecular formula C16H22N3+ and a molecular weight of 256.37 g/mol. Its IUPAC name is 1-phenyl-2-(5-pyrrolidin-1-ium-1-ylcyclohexa-1,5-dien-1-yl)hydrazine.

Molecular Properties

Compound Name1-phenyl-2-(5-pyrrolidin-1-ium-1-ylcyclohexa-1,5-dien-1-yl)hydrazine
PubChem CID2317469
Molecular FormulaC16H22N3+
Molecular Weight256.37 g/mol
Exact Mass256.18
IUPAC Name1-phenyl-2-(5-pyrrolidin-1-ium-1-ylcyclohexa-1,5-dien-1-yl)hydrazine
SMILESC1=C(NNc2ccccc2)C=C([NH+]2CCCC2)CC1
InChIInChI=1S/C16H21N3/c1-2-7-14(8-3-1)17-18-15-9-6-10-16(13-15)19-11-4-5-12-19/h1-3,7-9,13,17-18H,4-6,10-12H2/p+1
InChIKeyWODMZXOQANFCGA-UHFFFAOYSA-O
XLogP1.84
TPSA28.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-phenyl-2-(5-pyrrolidin-1-ium-1-ylcyclohexa-1,5-dien-1-yl)hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(5-pyrrolidin-1-ium-1-ylcyclohexa-1,5-dien-1-yl)hydrazine?
The IUPAC name of 1-phenyl-2-(5-pyrrolidin-1-ium-1-ylcyclohexa-1,5-dien-1-yl)hydrazine (CID 2317469) is 1-phenyl-2-(5-pyrrolidin-1-ium-1-ylcyclohexa-1,5-dien-1-yl)hydrazine.
What is the SMILES notation for 1-phenyl-2-(5-pyrrolidin-1-ium-1-ylcyclohexa-1,5-dien-1-yl)hydrazine?
The canonical SMILES for 1-phenyl-2-(5-pyrrolidin-1-ium-1-ylcyclohexa-1,5-dien-1-yl)hydrazine is C1=C(NNc2ccccc2)C=C([NH+]2CCCC2)CC1.
What is the InChIKey of 1-phenyl-2-(5-pyrrolidin-1-ium-1-ylcyclohexa-1,5-dien-1-yl)hydrazine?
The InChIKey is WODMZXOQANFCGA-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H21N3/c1-2-7-14(8-3-1)17-18-15-9-6-10-16(13-15)19-11-4-5-12-19/h1-3,7-9,13,17-18H,4-6,10-12H2/p+1.
What are the key properties of 1-phenyl-2-(5-pyrrolidin-1-ium-1-ylcyclohexa-1,5-dien-1-yl)hydrazine?
1-phenyl-2-(5-pyrrolidin-1-ium-1-ylcyclohexa-1,5-dien-1-yl)hydrazine has a molecular weight of 256.37 g/mol, XLogP of 1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(5-pyrrolidin-1-ium-1-ylcyclohexa-1,5-dien-1-yl)hydrazine is sourced from PubChem (CID 2317469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).