2-cyclopropyl-1-[3-(hydroxymethyl)oxolan-3-yl]guanidine

C9H17N3O2 — CID 131007281

IUPAC2-cyclopropyl-1-[3-(hydroxymethyl)oxolan-3-yl]guanidine
SMILESN/C(=N\C1CC1)NC1(CO)CCOC1
InChIInChI=1S/C9H17N3O2/c10-8(11-7-1-2-7)12-9(5-13)3-4-14-6-9/h7,13H,1-6H2,(H3,10,11,12)
InChIKeyFJXHIFAFAULPJF-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.80
Rot. Bonds3

About 2-cyclopropyl-1-[3-(hydroxymethyl)oxolan-3-yl]guanidine

2-cyclopropyl-1-[3-(hydroxymethyl)oxolan-3-yl]guanidine (PubChem CID 131007281) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-cyclopropyl-1-[3-(hydroxymethyl)oxolan-3-yl]guanidine.

Molecular Properties

Compound Name2-cyclopropyl-1-[3-(hydroxymethyl)oxolan-3-yl]guanidine
PubChem CID131007281
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name2-cyclopropyl-1-[3-(hydroxymethyl)oxolan-3-yl]guanidine
SMILESN/C(=N\C1CC1)NC1(CO)CCOC1
InChIInChI=1S/C9H17N3O2/c10-8(11-7-1-2-7)12-9(5-13)3-4-14-6-9/h7,13H,1-6H2,(H3,10,11,12)
InChIKeyFJXHIFAFAULPJF-UHFFFAOYSA-N
XLogP-0.80
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
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 2-cyclopropyl-1-[3-(hydroxymethyl)oxolan-3-yl]guanidine?
The IUPAC name of 2-cyclopropyl-1-[3-(hydroxymethyl)oxolan-3-yl]guanidine (CID 131007281) is 2-cyclopropyl-1-[3-(hydroxymethyl)oxolan-3-yl]guanidine.
What is the SMILES notation for 2-cyclopropyl-1-[3-(hydroxymethyl)oxolan-3-yl]guanidine?
The canonical SMILES for 2-cyclopropyl-1-[3-(hydroxymethyl)oxolan-3-yl]guanidine is N/C(=N\C1CC1)NC1(CO)CCOC1.
What is the InChIKey of 2-cyclopropyl-1-[3-(hydroxymethyl)oxolan-3-yl]guanidine?
The InChIKey is FJXHIFAFAULPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c10-8(11-7-1-2-7)12-9(5-13)3-4-14-6-9/h7,13H,1-6H2,(H3,10,11,12).
What are the key properties of 2-cyclopropyl-1-[3-(hydroxymethyl)oxolan-3-yl]guanidine?
2-cyclopropyl-1-[3-(hydroxymethyl)oxolan-3-yl]guanidine has a molecular weight of 199.25 g/mol, XLogP of -0.80, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[3-(hydroxymethyl)oxolan-3-yl]guanidine is sourced from PubChem (CID 131007281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).