5-[(2-oxoazocan-1-yl)methyl]furan-2-carbohydrazide

C13H19N3O3 — CID 55214250

IUPAC5-[(2-oxoazocan-1-yl)methyl]furan-2-carbohydrazide
SMILESNNC(=O)c1ccc(CN2CCCCCCC2=O)o1
InChIInChI=1S/C13H19N3O3/c14-15-13(18)11-7-6-10(19-11)9-16-8-4-2-1-3-5-12(16)17/h6-7H,1-5,8-9,14H2,(H,15,18)
InChIKeyQVKULALOEQZPIP-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.18
Rot. Bonds3

About 5-[(2-oxoazocan-1-yl)methyl]furan-2-carbohydrazide

5-[(2-oxoazocan-1-yl)methyl]furan-2-carbohydrazide (PubChem CID 55214250) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-[(2-oxoazocan-1-yl)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-[(2-oxoazocan-1-yl)methyl]furan-2-carbohydrazide
PubChem CID55214250
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name5-[(2-oxoazocan-1-yl)methyl]furan-2-carbohydrazide
SMILESNNC(=O)c1ccc(CN2CCCCCCC2=O)o1
InChIInChI=1S/C13H19N3O3/c14-15-13(18)11-7-6-10(19-11)9-16-8-4-2-1-3-5-12(16)17/h6-7H,1-5,8-9,14H2,(H,15,18)
InChIKeyQVKULALOEQZPIP-UHFFFAOYSA-N
XLogP1.18
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 5-[(2-oxoazocan-1-yl)methyl]furan-2-carbohydrazide?
The IUPAC name of 5-[(2-oxoazocan-1-yl)methyl]furan-2-carbohydrazide (CID 55214250) is 5-[(2-oxoazocan-1-yl)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-[(2-oxoazocan-1-yl)methyl]furan-2-carbohydrazide?
The canonical SMILES for 5-[(2-oxoazocan-1-yl)methyl]furan-2-carbohydrazide is NNC(=O)c1ccc(CN2CCCCCCC2=O)o1.
What is the InChIKey of 5-[(2-oxoazocan-1-yl)methyl]furan-2-carbohydrazide?
The InChIKey is QVKULALOEQZPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c14-15-13(18)11-7-6-10(19-11)9-16-8-4-2-1-3-5-12(16)17/h6-7H,1-5,8-9,14H2,(H,15,18).
What are the key properties of 5-[(2-oxoazocan-1-yl)methyl]furan-2-carbohydrazide?
5-[(2-oxoazocan-1-yl)methyl]furan-2-carbohydrazide has a molecular weight of 265.31 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-oxoazocan-1-yl)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 55214250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).