3-imidazolidin-1-ylprop-1-en-1-ol

C6H12N2O — CID 70387906

IUPAC3-imidazolidin-1-ylprop-1-en-1-ol
SMILESOC=CCN1CCNC1
InChIInChI=1S/C6H12N2O/c9-5-1-3-8-4-2-7-6-8/h1,5,7,9H,2-4,6H2
InChIKeyJTIFPLPVTXOHPV-UHFFFAOYSA-N
MW128.18 g/mol
LogP-0.08
Rot. Bonds2

About 3-imidazolidin-1-ylprop-1-en-1-ol

3-imidazolidin-1-ylprop-1-en-1-ol (PubChem CID 70387906) has the molecular formula C6H12N2O and a molecular weight of 128.18 g/mol. Its IUPAC name is 3-imidazolidin-1-ylprop-1-en-1-ol.

Molecular Properties

Compound Name3-imidazolidin-1-ylprop-1-en-1-ol
PubChem CID70387906
Molecular FormulaC6H12N2O
Molecular Weight128.18 g/mol
Exact Mass128.09
IUPAC Name3-imidazolidin-1-ylprop-1-en-1-ol
SMILESOC=CCN1CCNC1
InChIInChI=1S/C6H12N2O/c9-5-1-3-8-4-2-7-6-8/h1,5,7,9H,2-4,6H2
InChIKeyJTIFPLPVTXOHPV-UHFFFAOYSA-N
XLogP-0.08
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-imidazolidin-1-ylprop-1-en-1-ol?
The IUPAC name of 3-imidazolidin-1-ylprop-1-en-1-ol (CID 70387906) is 3-imidazolidin-1-ylprop-1-en-1-ol.
What is the SMILES notation for 3-imidazolidin-1-ylprop-1-en-1-ol?
The canonical SMILES for 3-imidazolidin-1-ylprop-1-en-1-ol is OC=CCN1CCNC1.
What is the InChIKey of 3-imidazolidin-1-ylprop-1-en-1-ol?
The InChIKey is JTIFPLPVTXOHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c9-5-1-3-8-4-2-7-6-8/h1,5,7,9H,2-4,6H2.
What are the key properties of 3-imidazolidin-1-ylprop-1-en-1-ol?
3-imidazolidin-1-ylprop-1-en-1-ol has a molecular weight of 128.18 g/mol, XLogP of -0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazolidin-1-ylprop-1-en-1-ol is sourced from PubChem (CID 70387906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).