2-[(Z)-[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-1-hydroxyguanidine

C9H14N4O — CID 98136905

IUPAC2-[(Z)-[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-1-hydroxyguanidine
SMILESNC(=N/N=C\[C@H]1C[C@@H]2C=C[C@@H]1C2)NO
InChIInChI=1S/C9H14N4O/c10-9(13-14)12-11-5-8-4-6-1-2-7(8)3-6/h1-2,5-8,14H,3-4H2,(H3,10,12,13)/b11-5-/t6-,7-,8-/m1/s1
InChIKeyKFYIYNIBTQVYJF-CFAVNADVSA-N
MW194.24 g/mol
LogP0.48
Rot. Bonds2

About 2-[(Z)-[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-1-hydroxyguanidine

2-[(Z)-[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-1-hydroxyguanidine (PubChem CID 98136905) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-[(Z)-[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-1-hydroxyguanidine.

Molecular Properties

Compound Name2-[(Z)-[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-1-hydroxyguanidine
PubChem CID98136905
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name2-[(Z)-[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-1-hydroxyguanidine
SMILESNC(=N/N=C\[C@H]1C[C@@H]2C=C[C@@H]1C2)NO
InChIInChI=1S/C9H14N4O/c10-9(13-14)12-11-5-8-4-6-1-2-7(8)3-6/h1-2,5-8,14H,3-4H2,(H3,10,12,13)/b11-5-/t6-,7-,8-/m1/s1
InChIKeyKFYIYNIBTQVYJF-CFAVNADVSA-N
XLogP0.48
TPSA83.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(Z)-[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-1-hydroxyguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-1-hydroxyguanidine?
The IUPAC name of 2-[(Z)-[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-1-hydroxyguanidine (CID 98136905) is 2-[(Z)-[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-1-hydroxyguanidine.
What is the SMILES notation for 2-[(Z)-[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-1-hydroxyguanidine?
The canonical SMILES for 2-[(Z)-[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-1-hydroxyguanidine is NC(=N/N=C\[C@H]1C[C@@H]2C=C[C@@H]1C2)NO.
What is the InChIKey of 2-[(Z)-[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-1-hydroxyguanidine?
The InChIKey is KFYIYNIBTQVYJF-CFAVNADVSA-N. The full InChI is InChI=1S/C9H14N4O/c10-9(13-14)12-11-5-8-4-6-1-2-7(8)3-6/h1-2,5-8,14H,3-4H2,(H3,10,12,13)/b11-5-/t6-,7-,8-/m1/s1.
What are the key properties of 2-[(Z)-[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-1-hydroxyguanidine?
2-[(Z)-[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-1-hydroxyguanidine has a molecular weight of 194.24 g/mol, XLogP of 0.48, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-1-hydroxyguanidine is sourced from PubChem (CID 98136905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).