2-hydroxy-N'-[(1R,2S,3E,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]benzohydrazide

C14H17N3O3 — CID 98156057

IUPAC2-hydroxy-N'-[(1R,2S,3E,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]benzohydrazide
SMILESO=C(NN[C@@H]1/C(=N/O)[C@H]2CC[C@@H]1C2)c1ccccc1O
InChIInChI=1S/C14H17N3O3/c18-11-4-2-1-3-10(11)14(19)16-15-12-8-5-6-9(7-8)13(12)17-20/h1-4,8-9,12,15,18,20H,5-7H2,(H,16,19)/b17-13+/t8-,9+,12+/m1/s1
InChIKeyIVILXDGHXDZAIT-ZTLNXOEVSA-N
MW275.31 g/mol
LogP1.26
Rot. Bonds3

About 2-hydroxy-N'-[(1R,2S,3E,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]benzohydrazide

2-hydroxy-N'-[(1R,2S,3E,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]benzohydrazide (PubChem CID 98156057) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-hydroxy-N'-[(1R,2S,3E,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]benzohydrazide.

Molecular Properties

Compound Name2-hydroxy-N'-[(1R,2S,3E,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]benzohydrazide
PubChem CID98156057
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-hydroxy-N'-[(1R,2S,3E,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]benzohydrazide
SMILESO=C(NN[C@@H]1/C(=N/O)[C@H]2CC[C@@H]1C2)c1ccccc1O
InChIInChI=1S/C14H17N3O3/c18-11-4-2-1-3-10(11)14(19)16-15-12-8-5-6-9(7-8)13(12)17-20/h1-4,8-9,12,15,18,20H,5-7H2,(H,16,19)/b17-13+/t8-,9+,12+/m1/s1
InChIKeyIVILXDGHXDZAIT-ZTLNXOEVSA-N
XLogP1.26
TPSA93.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 2-hydroxy-N'-[(1R,2S,3E,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]benzohydrazide?
The IUPAC name of 2-hydroxy-N'-[(1R,2S,3E,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]benzohydrazide (CID 98156057) is 2-hydroxy-N'-[(1R,2S,3E,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]benzohydrazide.
What is the SMILES notation for 2-hydroxy-N'-[(1R,2S,3E,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]benzohydrazide?
The canonical SMILES for 2-hydroxy-N'-[(1R,2S,3E,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]benzohydrazide is O=C(NN[C@@H]1/C(=N/O)[C@H]2CC[C@@H]1C2)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N'-[(1R,2S,3E,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]benzohydrazide?
The InChIKey is IVILXDGHXDZAIT-ZTLNXOEVSA-N. The full InChI is InChI=1S/C14H17N3O3/c18-11-4-2-1-3-10(11)14(19)16-15-12-8-5-6-9(7-8)13(12)17-20/h1-4,8-9,12,15,18,20H,5-7H2,(H,16,19)/b17-13+/t8-,9+,12+/m1/s1.
What are the key properties of 2-hydroxy-N'-[(1R,2S,3E,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]benzohydrazide?
2-hydroxy-N'-[(1R,2S,3E,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]benzohydrazide has a molecular weight of 275.31 g/mol, XLogP of 1.26, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N'-[(1R,2S,3E,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]benzohydrazide is sourced from PubChem (CID 98156057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).