2-(oxolan-3-ylideneamino)guanidine

C5H10N4O — CID 77013747

IUPAC2-(oxolan-3-ylideneamino)guanidine
SMILESNC(N)=NN=C1CCOC1
InChIInChI=1S/C5H10N4O/c6-5(7)9-8-4-1-2-10-3-4/h1-3H2,(H4,6,7,9)
InChIKeyCXAIBBGHEIKOMB-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.96
Rot. Bonds1

About 2-(oxolan-3-ylideneamino)guanidine

2-(oxolan-3-ylideneamino)guanidine (PubChem CID 77013747) has the molecular formula C5H10N4O and a molecular weight of 142.16 g/mol. Its IUPAC name is 2-(oxolan-3-ylideneamino)guanidine.

Molecular Properties

Compound Name2-(oxolan-3-ylideneamino)guanidine
PubChem CID77013747
Molecular FormulaC5H10N4O
Molecular Weight142.16 g/mol
Exact Mass142.09
IUPAC Name2-(oxolan-3-ylideneamino)guanidine
SMILESNC(N)=NN=C1CCOC1
InChIInChI=1S/C5H10N4O/c6-5(7)9-8-4-1-2-10-3-4/h1-3H2,(H4,6,7,9)
InChIKeyCXAIBBGHEIKOMB-UHFFFAOYSA-N
XLogP-0.96
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.96
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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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-ylideneamino)guanidine?
The IUPAC name of 2-(oxolan-3-ylideneamino)guanidine (CID 77013747) is 2-(oxolan-3-ylideneamino)guanidine.
What is the SMILES notation for 2-(oxolan-3-ylideneamino)guanidine?
The canonical SMILES for 2-(oxolan-3-ylideneamino)guanidine is NC(N)=NN=C1CCOC1.
What is the InChIKey of 2-(oxolan-3-ylideneamino)guanidine?
The InChIKey is CXAIBBGHEIKOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O/c6-5(7)9-8-4-1-2-10-3-4/h1-3H2,(H4,6,7,9).
What are the key properties of 2-(oxolan-3-ylideneamino)guanidine?
2-(oxolan-3-ylideneamino)guanidine has a molecular weight of 142.16 g/mol, XLogP of -0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-ylideneamino)guanidine is sourced from PubChem (CID 77013747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).