2-(1,3-dioxolan-4-ylmethyl)guanidine

C5H11N3O2 — CID 159103052

IUPAC2-(1,3-dioxolan-4-ylmethyl)guanidine
SMILESNC(N)=NCC1COCO1
InChIInChI=1S/C5H11N3O2/c6-5(7)8-1-4-2-9-3-10-4/h4H,1-3H2,(H4,6,7,8)
InChIKeyXYZLPPJTRJPPLS-UHFFFAOYSA-N
MW145.16 g/mol
LogP-1.37
Rot. Bonds2

About 2-(1,3-dioxolan-4-ylmethyl)guanidine

2-(1,3-dioxolan-4-ylmethyl)guanidine (PubChem CID 159103052) has the molecular formula C5H11N3O2 and a molecular weight of 145.16 g/mol. Its IUPAC name is 2-(1,3-dioxolan-4-ylmethyl)guanidine.

Molecular Properties

Compound Name2-(1,3-dioxolan-4-ylmethyl)guanidine
PubChem CID159103052
Molecular FormulaC5H11N3O2
Molecular Weight145.16 g/mol
Exact Mass145.09
IUPAC Name2-(1,3-dioxolan-4-ylmethyl)guanidine
SMILESNC(N)=NCC1COCO1
InChIInChI=1S/C5H11N3O2/c6-5(7)8-1-4-2-9-3-10-4/h4H,1-3H2,(H4,6,7,8)
InChIKeyXYZLPPJTRJPPLS-UHFFFAOYSA-N
XLogP-1.37
TPSA82.86 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-1.37
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'}

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Related Compounds

N'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]methanediimine
CID 87550676
2-(1,3-Dioxolan-4-ylmethyl)guanidine;sulfuric acid
CID 159103051
N'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]methanediimine;hydrochloride
CID 175060692
2-[2-(1,3-Dioxolan-2-yl)ethyl]guanidine
CID 13004280
2-[(2,2-Diethyl-1,3-dioxolan-4-yl)methyl]guanidine
CID 158101900
2-[(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl]guanidine
CID 158234453

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-4-ylmethyl)guanidine?
The IUPAC name of 2-(1,3-dioxolan-4-ylmethyl)guanidine (CID 159103052) is 2-(1,3-dioxolan-4-ylmethyl)guanidine.
What is the SMILES notation for 2-(1,3-dioxolan-4-ylmethyl)guanidine?
The canonical SMILES for 2-(1,3-dioxolan-4-ylmethyl)guanidine is NC(N)=NCC1COCO1.
What is the InChIKey of 2-(1,3-dioxolan-4-ylmethyl)guanidine?
The InChIKey is XYZLPPJTRJPPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O2/c6-5(7)8-1-4-2-9-3-10-4/h4H,1-3H2,(H4,6,7,8).
What are the key properties of 2-(1,3-dioxolan-4-ylmethyl)guanidine?
2-(1,3-dioxolan-4-ylmethyl)guanidine has a molecular weight of 145.16 g/mol, XLogP of -1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-4-ylmethyl)guanidine is sourced from PubChem (CID 159103052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).