cyclohepta-1,3,5-trien-1-ylhydrazine

C7H10N2 — CID 143048832

IUPACcyclohepta-1,3,5-trien-1-ylhydrazine
SMILESNNC1=CC=CC=CC1
InChIInChI=1S/C7H10N2/c8-9-7-5-3-1-2-4-6-7/h1-5,9H,6,8H2
InChIKeyILMPFVMFWUAGFI-UHFFFAOYSA-N
MW122.17 g/mol
LogP0.85
Rot. Bonds1

About cyclohepta-1,3,5-trien-1-ylhydrazine

cyclohepta-1,3,5-trien-1-ylhydrazine (PubChem CID 143048832) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is cyclohepta-1,3,5-trien-1-ylhydrazine.

Molecular Properties

Compound Namecyclohepta-1,3,5-trien-1-ylhydrazine
PubChem CID143048832
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Namecyclohepta-1,3,5-trien-1-ylhydrazine
SMILESNNC1=CC=CC=CC1
InChIInChI=1S/C7H10N2/c8-9-7-5-3-1-2-4-6-7/h1-5,9H,6,8H2
InChIKeyILMPFVMFWUAGFI-UHFFFAOYSA-N
XLogP0.85
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5-Fluorocyclohepta-1,4,6-trien-1-yl)hydrazine
CID 139334698
[(3E,5E)-6-fluorohepta-3,5-dien-3-yl]hydrazine
CID 144097644
(6-Fluorocyclohexa-1,3-dien-1-yl)hydrazine
CID 163668641
(3-Chloro-4-fluorocyclohepta-1,3,5-trien-1-yl)hydrazine
CID 143847287
Cyclohexa-1,3-dien-1-ylhydrazine
CID 58768585
Cyclohexa-1,5-dien-1-ylhydrazine
CID 68899428
[(3E)-hexa-1,3,5-trien-3-yl]hydrazine
CID 89670806
2-(2-Aminohydrazinyl)cyclohexa-1,3-diene
CID 89981084
(Z)-2-(2-aminohydrazinyl)pent-2-ene
CID 117669876
[(Z)-hex-3-en-3-yl]hydrazine
CID 117673610
[(3Z)-hexa-3,5-dien-3-yl]hydrazine
CID 117695732
Cyclohepta-1,3-dien-1-ylhydrazine
CID 126762478

Frequently Asked Questions

What is the IUPAC name of cyclohepta-1,3,5-trien-1-ylhydrazine?
The IUPAC name of cyclohepta-1,3,5-trien-1-ylhydrazine (CID 143048832) is cyclohepta-1,3,5-trien-1-ylhydrazine.
What is the SMILES notation for cyclohepta-1,3,5-trien-1-ylhydrazine?
The canonical SMILES for cyclohepta-1,3,5-trien-1-ylhydrazine is NNC1=CC=CC=CC1.
What is the InChIKey of cyclohepta-1,3,5-trien-1-ylhydrazine?
The InChIKey is ILMPFVMFWUAGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c8-9-7-5-3-1-2-4-6-7/h1-5,9H,6,8H2.
What are the key properties of cyclohepta-1,3,5-trien-1-ylhydrazine?
cyclohepta-1,3,5-trien-1-ylhydrazine has a molecular weight of 122.17 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepta-1,3,5-trien-1-ylhydrazine is sourced from PubChem (CID 143048832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).