1-imidazolidin-1-ylprop-2-en-1-ol

C6H12N2O — CID 70387904

IUPAC1-imidazolidin-1-ylprop-2-en-1-ol
SMILESC=CC(O)N1CCNC1
InChIInChI=1S/C6H12N2O/c1-2-6(9)8-4-3-7-5-8/h2,6-7,9H,1,3-5H2
InChIKeyUYYVAJYILWWGSV-UHFFFAOYSA-N
MW128.17 g/mol
LogP-0.65
Rot. Bonds2

About 1-imidazolidin-1-ylprop-2-en-1-ol

1-imidazolidin-1-ylprop-2-en-1-ol (PubChem CID 70387904) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 1-imidazolidin-1-ylprop-2-en-1-ol.

Molecular Properties

Compound Name1-imidazolidin-1-ylprop-2-en-1-ol
PubChem CID70387904
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name1-imidazolidin-1-ylprop-2-en-1-ol
SMILESC=CC(O)N1CCNC1
InChIInChI=1S/C6H12N2O/c1-2-6(9)8-4-3-7-5-8/h2,6-7,9H,1,3-5H2
InChIKeyUYYVAJYILWWGSV-UHFFFAOYSA-N
XLogP-0.65
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

CID 66821577
CID 66821577
CID 67615615
CID 67615615
CID 69236445
CID 69236445
CID 70387906
CID 70387906
CID 174351613
CID 174351613
CID 174438086
CID 174438086
CID 174576757
CID 174576757

Frequently Asked Questions

What is the IUPAC name of 1-imidazolidin-1-ylprop-2-en-1-ol?
The IUPAC name of 1-imidazolidin-1-ylprop-2-en-1-ol (CID 70387904) is 1-imidazolidin-1-ylprop-2-en-1-ol.
What is the SMILES notation for 1-imidazolidin-1-ylprop-2-en-1-ol?
The canonical SMILES for 1-imidazolidin-1-ylprop-2-en-1-ol is C=CC(O)N1CCNC1.
What is the InChIKey of 1-imidazolidin-1-ylprop-2-en-1-ol?
The InChIKey is UYYVAJYILWWGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-2-6(9)8-4-3-7-5-8/h2,6-7,9H,1,3-5H2.
What are the key properties of 1-imidazolidin-1-ylprop-2-en-1-ol?
1-imidazolidin-1-ylprop-2-en-1-ol has a molecular weight of 128.17 g/mol, XLogP of -0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazolidin-1-ylprop-2-en-1-ol is sourced from PubChem (CID 70387904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).