2H-pyran-4-carbohydrazide

C6H8N2O2 — CID 141125864

IUPAC2H-pyran-4-carbohydrazide
SMILESNNC(=O)C1=CCOC=C1
InChIInChI=1S/C6H8N2O2/c7-8-6(9)5-1-3-10-4-2-5/h1-3H,4,7H2,(H,8,9)
InChIKeyVVQQGMPDQXRMSZ-UHFFFAOYSA-N
MW140.14 g/mol
LogP-0.55
Rot. Bonds1

About 2H-pyran-4-carbohydrazide

2H-pyran-4-carbohydrazide (PubChem CID 141125864) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 2H-pyran-4-carbohydrazide.

Molecular Properties

Compound Name2H-pyran-4-carbohydrazide
PubChem CID141125864
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name2H-pyran-4-carbohydrazide
SMILESNNC(=O)C1=CCOC=C1
InChIInChI=1S/C6H8N2O2/c7-8-6(9)5-1-3-10-4-2-5/h1-3H,4,7H2,(H,8,9)
InChIKeyVVQQGMPDQXRMSZ-UHFFFAOYSA-N
XLogP-0.55
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-0.55
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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Related Compounds

4aH-benzo[c]chromene-9-carbohydrazide
CID 87079521
2-Oxopyran-4-carbohydrazide
CID 91534746
(2Z)-2-ethenyl-3-methoxypenta-2,4-dienehydrazide
CID 156647517
hydron;2H-pyran-4-carboxamide
CID 175124899
6-Oxopyran-3-carbohydrazide
CID 130710971

Frequently Asked Questions

What is the IUPAC name of 2H-pyran-4-carbohydrazide?
The IUPAC name of 2H-pyran-4-carbohydrazide (CID 141125864) is 2H-pyran-4-carbohydrazide.
What is the SMILES notation for 2H-pyran-4-carbohydrazide?
The canonical SMILES for 2H-pyran-4-carbohydrazide is NNC(=O)C1=CCOC=C1.
What is the InChIKey of 2H-pyran-4-carbohydrazide?
The InChIKey is VVQQGMPDQXRMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c7-8-6(9)5-1-3-10-4-2-5/h1-3H,4,7H2,(H,8,9).
What are the key properties of 2H-pyran-4-carbohydrazide?
2H-pyran-4-carbohydrazide has a molecular weight of 140.14 g/mol, XLogP of -0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyran-4-carbohydrazide is sourced from PubChem (CID 141125864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).