2-[(Z)-(2-oxooxolan-3-ylidene)methyl]guanidine

C6H9N3O2 — CID 46785860

IUPAC2-[(Z)-(2-oxooxolan-3-ylidene)methyl]guanidine
SMILESNC(N)=N/C=C1/CCOC1=O
InChIInChI=1S/C6H9N3O2/c7-6(8)9-3-4-1-2-11-5(4)10/h3H,1-2H2,(H4,7,8,9)/b4-3-
InChIKeyGLNUTEDBBVYHHM-ARJAWSKDSA-N
MW155.16 g/mol
LogP-0.91
Rot. Bonds1

About 2-[(Z)-(2-oxooxolan-3-ylidene)methyl]guanidine

2-[(Z)-(2-oxooxolan-3-ylidene)methyl]guanidine (PubChem CID 46785860) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 2-[(Z)-(2-oxooxolan-3-ylidene)methyl]guanidine.

Molecular Properties

Compound Name2-[(Z)-(2-oxooxolan-3-ylidene)methyl]guanidine
PubChem CID46785860
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name2-[(Z)-(2-oxooxolan-3-ylidene)methyl]guanidine
SMILESNC(N)=N/C=C1/CCOC1=O
InChIInChI=1S/C6H9N3O2/c7-6(8)9-3-4-1-2-11-5(4)10/h3H,1-2H2,(H4,7,8,9)/b4-3-
InChIKeyGLNUTEDBBVYHHM-ARJAWSKDSA-N
XLogP-0.91
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(2-oxooxolan-3-ylidene)methyl]guanidine?
The IUPAC name of 2-[(Z)-(2-oxooxolan-3-ylidene)methyl]guanidine (CID 46785860) is 2-[(Z)-(2-oxooxolan-3-ylidene)methyl]guanidine.
What is the SMILES notation for 2-[(Z)-(2-oxooxolan-3-ylidene)methyl]guanidine?
The canonical SMILES for 2-[(Z)-(2-oxooxolan-3-ylidene)methyl]guanidine is NC(N)=N/C=C1/CCOC1=O.
What is the InChIKey of 2-[(Z)-(2-oxooxolan-3-ylidene)methyl]guanidine?
The InChIKey is GLNUTEDBBVYHHM-ARJAWSKDSA-N. The full InChI is InChI=1S/C6H9N3O2/c7-6(8)9-3-4-1-2-11-5(4)10/h3H,1-2H2,(H4,7,8,9)/b4-3-.
What are the key properties of 2-[(Z)-(2-oxooxolan-3-ylidene)methyl]guanidine?
2-[(Z)-(2-oxooxolan-3-ylidene)methyl]guanidine has a molecular weight of 155.16 g/mol, XLogP of -0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(2-oxooxolan-3-ylidene)methyl]guanidine is sourced from PubChem (CID 46785860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).