N'-propyl-9H-xanthene-9-carbohydrazide

C17H18N2O2 — CID 155513536

IUPACN'-propyl-9H-xanthene-9-carbohydrazide
SMILESCCCNNC(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C17H18N2O2/c1-2-11-18-19-17(20)16-12-7-3-5-9-14(12)21-15-10-6-4-8-13(15)16/h3-10,16,18H,2,11H2,1H3,(H,19,20)
InChIKeyVMWBJUBSISGLHL-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.95
Rot. Bonds4

About N'-propyl-9H-xanthene-9-carbohydrazide

N'-propyl-9H-xanthene-9-carbohydrazide (PubChem CID 155513536) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N'-propyl-9H-xanthene-9-carbohydrazide.

Molecular Properties

Compound NameN'-propyl-9H-xanthene-9-carbohydrazide
PubChem CID155513536
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN'-propyl-9H-xanthene-9-carbohydrazide
SMILESCCCNNC(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C17H18N2O2/c1-2-11-18-19-17(20)16-12-7-3-5-9-14(12)21-15-10-6-4-8-13(15)16/h3-10,16,18H,2,11H2,1H3,(H,19,20)
InChIKeyVMWBJUBSISGLHL-UHFFFAOYSA-N
XLogP2.95
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 N'-propyl-9H-xanthene-9-carbohydrazide?
The IUPAC name of N'-propyl-9H-xanthene-9-carbohydrazide (CID 155513536) is N'-propyl-9H-xanthene-9-carbohydrazide.
What is the SMILES notation for N'-propyl-9H-xanthene-9-carbohydrazide?
The canonical SMILES for N'-propyl-9H-xanthene-9-carbohydrazide is CCCNNC(=O)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N'-propyl-9H-xanthene-9-carbohydrazide?
The InChIKey is VMWBJUBSISGLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-2-11-18-19-17(20)16-12-7-3-5-9-14(12)21-15-10-6-4-8-13(15)16/h3-10,16,18H,2,11H2,1H3,(H,19,20).
What are the key properties of N'-propyl-9H-xanthene-9-carbohydrazide?
N'-propyl-9H-xanthene-9-carbohydrazide has a molecular weight of 282.34 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propyl-9H-xanthene-9-carbohydrazide is sourced from PubChem (CID 155513536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).