3-methoxycyclohexa-1,5-diene-1-carbohydrazide

C8H12N2O2 — CID 143902861

IUPAC3-methoxycyclohexa-1,5-diene-1-carbohydrazide
SMILESCOC1C=C(C(=O)NN)C=CC1
InChIInChI=1S/C8H12N2O2/c1-12-7-4-2-3-6(5-7)8(11)10-9/h2-3,5,7H,4,9H2,1H3,(H,10,11)
InChIKeyQEUFKWLTPXAGSF-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.12
Rot. Bonds2

About 3-methoxycyclohexa-1,5-diene-1-carbohydrazide

3-methoxycyclohexa-1,5-diene-1-carbohydrazide (PubChem CID 143902861) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 3-methoxycyclohexa-1,5-diene-1-carbohydrazide.

Molecular Properties

Compound Name3-methoxycyclohexa-1,5-diene-1-carbohydrazide
PubChem CID143902861
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name3-methoxycyclohexa-1,5-diene-1-carbohydrazide
SMILESCOC1C=C(C(=O)NN)C=CC1
InChIInChI=1S/C8H12N2O2/c1-12-7-4-2-3-6(5-7)8(11)10-9/h2-3,5,7H,4,9H2,1H3,(H,10,11)
InChIKeyQEUFKWLTPXAGSF-UHFFFAOYSA-N
XLogP-0.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxycyclohexa-1,5-diene-1-carbohydrazide?
The IUPAC name of 3-methoxycyclohexa-1,5-diene-1-carbohydrazide (CID 143902861) is 3-methoxycyclohexa-1,5-diene-1-carbohydrazide.
What is the SMILES notation for 3-methoxycyclohexa-1,5-diene-1-carbohydrazide?
The canonical SMILES for 3-methoxycyclohexa-1,5-diene-1-carbohydrazide is COC1C=C(C(=O)NN)C=CC1.
What is the InChIKey of 3-methoxycyclohexa-1,5-diene-1-carbohydrazide?
The InChIKey is QEUFKWLTPXAGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-12-7-4-2-3-6(5-7)8(11)10-9/h2-3,5,7H,4,9H2,1H3,(H,10,11).
What are the key properties of 3-methoxycyclohexa-1,5-diene-1-carbohydrazide?
3-methoxycyclohexa-1,5-diene-1-carbohydrazide has a molecular weight of 168.20 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxycyclohexa-1,5-diene-1-carbohydrazide is sourced from PubChem (CID 143902861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).