1-(1,3-dioxolan-4-yl)-1-methylguanidine

C5H11N3O2 — CID 158594537

IUPAC1-(1,3-dioxolan-4-yl)-1-methylguanidine
SMILES[H]/N=C(\N)N(C)C1COCO1
InChIInChI=1S/C5H11N3O2/c1-8(5(6)7)4-2-9-3-10-4/h4H,2-3H2,1H3,(H3,6,7)
InChIKeyHUVZJELOQCCFBQ-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.86
Rot. Bonds1

About 1-(1,3-dioxolan-4-yl)-1-methylguanidine

1-(1,3-dioxolan-4-yl)-1-methylguanidine (PubChem CID 158594537) has the molecular formula C5H11N3O2 and a molecular weight of 145.16 g/mol. Its IUPAC name is 1-(1,3-dioxolan-4-yl)-1-methylguanidine.

Molecular Properties

Compound Name1-(1,3-dioxolan-4-yl)-1-methylguanidine
PubChem CID158594537
Molecular FormulaC5H11N3O2
Molecular Weight145.16 g/mol
Exact Mass145.09
IUPAC Name1-(1,3-dioxolan-4-yl)-1-methylguanidine
SMILES[H]/N=C(\N)N(C)C1COCO1
InChIInChI=1S/C5H11N3O2/c1-8(5(6)7)4-2-9-3-10-4/h4H,2-3H2,1H3,(H3,6,7)
InChIKeyHUVZJELOQCCFBQ-UHFFFAOYSA-N
XLogP-0.86
TPSA71.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.86
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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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxolan-4-yl)-1-methylguanidine?
The IUPAC name of 1-(1,3-dioxolan-4-yl)-1-methylguanidine (CID 158594537) is 1-(1,3-dioxolan-4-yl)-1-methylguanidine.
What is the SMILES notation for 1-(1,3-dioxolan-4-yl)-1-methylguanidine?
The canonical SMILES for 1-(1,3-dioxolan-4-yl)-1-methylguanidine is [H]/N=C(\N)N(C)C1COCO1.
What is the InChIKey of 1-(1,3-dioxolan-4-yl)-1-methylguanidine?
The InChIKey is HUVZJELOQCCFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O2/c1-8(5(6)7)4-2-9-3-10-4/h4H,2-3H2,1H3,(H3,6,7).
What are the key properties of 1-(1,3-dioxolan-4-yl)-1-methylguanidine?
1-(1,3-dioxolan-4-yl)-1-methylguanidine has a molecular weight of 145.16 g/mol, XLogP of -0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxolan-4-yl)-1-methylguanidine is sourced from PubChem (CID 158594537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).