azulene-1-carbohydrazide

C11H10N2O — CID 45118106

IUPACazulene-1-carbohydrazide
SMILESNNC(=O)c1ccc2cccccc1-2
InChIInChI=1S/C11H10N2O/c12-13-11(14)10-7-6-8-4-2-1-3-5-9(8)10/h1-7H,12H2,(H,13,14)
InChIKeySPAJMVRVTLHNPU-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.39
Rot. Bonds1

About azulene-1-carbohydrazide

azulene-1-carbohydrazide (PubChem CID 45118106) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is azulene-1-carbohydrazide.

Molecular Properties

Compound Nameazulene-1-carbohydrazide
PubChem CID45118106
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Nameazulene-1-carbohydrazide
SMILESNNC(=O)c1ccc2cccccc1-2
InChIInChI=1S/C11H10N2O/c12-13-11(14)10-7-6-8-4-2-1-3-5-9(8)10/h1-7H,12H2,(H,13,14)
InChIKeySPAJMVRVTLHNPU-UHFFFAOYSA-N
XLogP1.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 azulene-1-carbohydrazide?
The IUPAC name of azulene-1-carbohydrazide (CID 45118106) is azulene-1-carbohydrazide.
What is the SMILES notation for azulene-1-carbohydrazide?
The canonical SMILES for azulene-1-carbohydrazide is NNC(=O)c1ccc2cccccc1-2.
What is the InChIKey of azulene-1-carbohydrazide?
The InChIKey is SPAJMVRVTLHNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c12-13-11(14)10-7-6-8-4-2-1-3-5-9(8)10/h1-7H,12H2,(H,13,14).
What are the key properties of azulene-1-carbohydrazide?
azulene-1-carbohydrazide has a molecular weight of 186.21 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azulene-1-carbohydrazide is sourced from PubChem (CID 45118106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).