1-propylimidazolidin-4-ol

C6H14N2O — CID 89189385

IUPAC1-propylimidazolidin-4-ol
SMILESCCCN1CNC(O)C1
InChIInChI=1S/C6H14N2O/c1-2-3-8-4-6(9)7-5-8/h6-7,9H,2-5H2,1H3
InChIKeyVMSVIQUFAXXROL-UHFFFAOYSA-N
MW130.19 g/mol
LogP-0.42
Rot. Bonds2

About 1-propylimidazolidin-4-ol

1-propylimidazolidin-4-ol (PubChem CID 89189385) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is 1-propylimidazolidin-4-ol.

Molecular Properties

Compound Name1-propylimidazolidin-4-ol
PubChem CID89189385
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name1-propylimidazolidin-4-ol
SMILESCCCN1CNC(O)C1
InChIInChI=1S/C6H14N2O/c1-2-3-8-4-6(9)7-5-8/h6-7,9H,2-5H2,1H3
InChIKeyVMSVIQUFAXXROL-UHFFFAOYSA-N
XLogP-0.42
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propylimidazolidin-4-ol?
The IUPAC name of 1-propylimidazolidin-4-ol (CID 89189385) is 1-propylimidazolidin-4-ol.
What is the SMILES notation for 1-propylimidazolidin-4-ol?
The canonical SMILES for 1-propylimidazolidin-4-ol is CCCN1CNC(O)C1.
What is the InChIKey of 1-propylimidazolidin-4-ol?
The InChIKey is VMSVIQUFAXXROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c1-2-3-8-4-6(9)7-5-8/h6-7,9H,2-5H2,1H3.
What are the key properties of 1-propylimidazolidin-4-ol?
1-propylimidazolidin-4-ol has a molecular weight of 130.19 g/mol, XLogP of -0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylimidazolidin-4-ol is sourced from PubChem (CID 89189385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).