2-[(E)-oxolan-3-ylmethylideneamino]guanidine

C6H12N4O — CID 60707108

IUPAC2-[(E)-oxolan-3-ylmethylideneamino]guanidine
SMILESNC(N)=N/N=C/C1CCOC1
InChIInChI=1S/C6H12N4O/c7-6(8)10-9-3-5-1-2-11-4-5/h3,5H,1-2,4H2,(H4,7,8,10)/b9-3+
InChIKeyLKAFYLCLHZQJDK-YCRREMRBSA-N
MW156.19 g/mol
LogP-0.72
Rot. Bonds2

About 2-[(E)-oxolan-3-ylmethylideneamino]guanidine

2-[(E)-oxolan-3-ylmethylideneamino]guanidine (PubChem CID 60707108) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is 2-[(E)-oxolan-3-ylmethylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-oxolan-3-ylmethylideneamino]guanidine
PubChem CID60707108
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name2-[(E)-oxolan-3-ylmethylideneamino]guanidine
SMILESNC(N)=N/N=C/C1CCOC1
InChIInChI=1S/C6H12N4O/c7-6(8)10-9-3-5-1-2-11-4-5/h3,5H,1-2,4H2,(H4,7,8,10)/b9-3+
InChIKeyLKAFYLCLHZQJDK-YCRREMRBSA-N
XLogP-0.72
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.72
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-oxolan-3-ylmethylideneamino] acetate
CID 87078938
ethane;oxolane-3-carbaldehyde
CID 142909173
(Z)-3-[(3S)-oxolan-3-yl]prop-2-enoic acid
CID 124583830
(2E)-3-methyl-2-(oxolan-3-ylmethylidene)butan-1-amine
CID 79323519
2-[[2-(oxan-4-yloxy)phenyl]methylideneamino]guanidine
CID 168591459
(3S)-3-[(2R)-oxiran-2-yl]oxolane
CID 94590793
3-(2-methoxyethenyl)oxolane
CID 67974652
3-[(E)-3,3-dimethylbut-1-enyl]oxolane
CID 118487558
(3S)-oxolane-3-carboxamide
CID 67048684
3-[2-(bromomethyl)but-1-enyl]oxolane
CID 115278036
N'-hydroxy-2-(oxolan-3-yl)ethanimidamide
CID 109375750
1-(diaminomethylidene)-2-(3-methyloxan-4-yl)guanidine
CID 130491765

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-oxolan-3-ylmethylideneamino]guanidine?
The IUPAC name of 2-[(E)-oxolan-3-ylmethylideneamino]guanidine (CID 60707108) is 2-[(E)-oxolan-3-ylmethylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-oxolan-3-ylmethylideneamino]guanidine?
The canonical SMILES for 2-[(E)-oxolan-3-ylmethylideneamino]guanidine is NC(N)=N/N=C/C1CCOC1.
What is the InChIKey of 2-[(E)-oxolan-3-ylmethylideneamino]guanidine?
The InChIKey is LKAFYLCLHZQJDK-YCRREMRBSA-N. The full InChI is InChI=1S/C6H12N4O/c7-6(8)10-9-3-5-1-2-11-4-5/h3,5H,1-2,4H2,(H4,7,8,10)/b9-3+.
What are the key properties of 2-[(E)-oxolan-3-ylmethylideneamino]guanidine?
2-[(E)-oxolan-3-ylmethylideneamino]guanidine has a molecular weight of 156.19 g/mol, XLogP of -0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-oxolan-3-ylmethylideneamino]guanidine is sourced from PubChem (CID 60707108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).