1-(3-hydroxypropyl)-4-propylimidazolidin-2-one

C9H18N2O2 — CID 116979406

IUPAC1-(3-hydroxypropyl)-4-propylimidazolidin-2-one
SMILESCCCC1CN(CCCO)C(=O)N1
InChIInChI=1S/C9H18N2O2/c1-2-4-8-7-11(5-3-6-12)9(13)10-8/h8,12H,2-7H2,1H3,(H,10,13)
InChIKeyJQMZUSDKRAFNID-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.56
Rot. Bonds5

About 1-(3-hydroxypropyl)-4-propylimidazolidin-2-one

1-(3-hydroxypropyl)-4-propylimidazolidin-2-one (PubChem CID 116979406) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-4-propylimidazolidin-2-one.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-4-propylimidazolidin-2-one
PubChem CID116979406
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-(3-hydroxypropyl)-4-propylimidazolidin-2-one
SMILESCCCC1CN(CCCO)C(=O)N1
InChIInChI=1S/C9H18N2O2/c1-2-4-8-7-11(5-3-6-12)9(13)10-8/h8,12H,2-7H2,1H3,(H,10,13)
InChIKeyJQMZUSDKRAFNID-UHFFFAOYSA-N
XLogP0.56
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-4-propylimidazolidin-2-one?
The IUPAC name of 1-(3-hydroxypropyl)-4-propylimidazolidin-2-one (CID 116979406) is 1-(3-hydroxypropyl)-4-propylimidazolidin-2-one.
What is the SMILES notation for 1-(3-hydroxypropyl)-4-propylimidazolidin-2-one?
The canonical SMILES for 1-(3-hydroxypropyl)-4-propylimidazolidin-2-one is CCCC1CN(CCCO)C(=O)N1.
What is the InChIKey of 1-(3-hydroxypropyl)-4-propylimidazolidin-2-one?
The InChIKey is JQMZUSDKRAFNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-2-4-8-7-11(5-3-6-12)9(13)10-8/h8,12H,2-7H2,1H3,(H,10,13).
What are the key properties of 1-(3-hydroxypropyl)-4-propylimidazolidin-2-one?
1-(3-hydroxypropyl)-4-propylimidazolidin-2-one has a molecular weight of 186.25 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-4-propylimidazolidin-2-one is sourced from PubChem (CID 116979406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).