2-[(3-hydroxyoxolan-3-yl)methyl]guanidine

C6H13N3O2 — CID 103847251

IUPAC2-[(3-hydroxyoxolan-3-yl)methyl]guanidine
SMILESNC(N)=NCC1(O)CCOC1
InChIInChI=1S/C6H13N3O2/c7-5(8)9-3-6(10)1-2-11-4-6/h10H,1-4H2,(H4,7,8,9)
InChIKeyPDVPQCBWIHHCCR-UHFFFAOYSA-N
MW159.19 g/mol
LogP-1.59
Rot. Bonds2

About 2-[(3-hydroxyoxolan-3-yl)methyl]guanidine

2-[(3-hydroxyoxolan-3-yl)methyl]guanidine (PubChem CID 103847251) has the molecular formula C6H13N3O2 and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-[(3-hydroxyoxolan-3-yl)methyl]guanidine.

Molecular Properties

Compound Name2-[(3-hydroxyoxolan-3-yl)methyl]guanidine
PubChem CID103847251
Molecular FormulaC6H13N3O2
Molecular Weight159.19 g/mol
Exact Mass159.10
IUPAC Name2-[(3-hydroxyoxolan-3-yl)methyl]guanidine
SMILESNC(N)=NCC1(O)CCOC1
InChIInChI=1S/C6H13N3O2/c7-5(8)9-3-6(10)1-2-11-4-6/h10H,1-4H2,(H4,7,8,9)
InChIKeyPDVPQCBWIHHCCR-UHFFFAOYSA-N
XLogP-1.59
TPSA93.86 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-1.59
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-[(3-hydroxyoxolan-3-yl)methyl]guanidine?
The IUPAC name of 2-[(3-hydroxyoxolan-3-yl)methyl]guanidine (CID 103847251) is 2-[(3-hydroxyoxolan-3-yl)methyl]guanidine.
What is the SMILES notation for 2-[(3-hydroxyoxolan-3-yl)methyl]guanidine?
The canonical SMILES for 2-[(3-hydroxyoxolan-3-yl)methyl]guanidine is NC(N)=NCC1(O)CCOC1.
What is the InChIKey of 2-[(3-hydroxyoxolan-3-yl)methyl]guanidine?
The InChIKey is PDVPQCBWIHHCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2/c7-5(8)9-3-6(10)1-2-11-4-6/h10H,1-4H2,(H4,7,8,9).
What are the key properties of 2-[(3-hydroxyoxolan-3-yl)methyl]guanidine?
2-[(3-hydroxyoxolan-3-yl)methyl]guanidine has a molecular weight of 159.19 g/mol, XLogP of -1.59, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxyoxolan-3-yl)methyl]guanidine is sourced from PubChem (CID 103847251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).