2-propan-2-yl-3-propylimidazolidin-4-one

C9H18N2O — CID 83241990

IUPAC2-propan-2-yl-3-propylimidazolidin-4-one
SMILESCCCN1C(=O)CNC1C(C)C
InChIInChI=1S/C9H18N2O/c1-4-5-11-8(12)6-10-9(11)7(2)3/h7,9-10H,4-6H2,1-3H3
InChIKeyQNCIZIZHSLKUPA-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.81
Rot. Bonds3

About 2-propan-2-yl-3-propylimidazolidin-4-one

2-propan-2-yl-3-propylimidazolidin-4-one (PubChem CID 83241990) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-propan-2-yl-3-propylimidazolidin-4-one.

Molecular Properties

Compound Name2-propan-2-yl-3-propylimidazolidin-4-one
PubChem CID83241990
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-propan-2-yl-3-propylimidazolidin-4-one
SMILESCCCN1C(=O)CNC1C(C)C
InChIInChI=1S/C9H18N2O/c1-4-5-11-8(12)6-10-9(11)7(2)3/h7,9-10H,4-6H2,1-3H3
InChIKeyQNCIZIZHSLKUPA-UHFFFAOYSA-N
XLogP0.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-3-propylimidazolidin-4-one?
The IUPAC name of 2-propan-2-yl-3-propylimidazolidin-4-one (CID 83241990) is 2-propan-2-yl-3-propylimidazolidin-4-one.
What is the SMILES notation for 2-propan-2-yl-3-propylimidazolidin-4-one?
The canonical SMILES for 2-propan-2-yl-3-propylimidazolidin-4-one is CCCN1C(=O)CNC1C(C)C.
What is the InChIKey of 2-propan-2-yl-3-propylimidazolidin-4-one?
The InChIKey is QNCIZIZHSLKUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-4-5-11-8(12)6-10-9(11)7(2)3/h7,9-10H,4-6H2,1-3H3.
What are the key properties of 2-propan-2-yl-3-propylimidazolidin-4-one?
2-propan-2-yl-3-propylimidazolidin-4-one has a molecular weight of 170.26 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-3-propylimidazolidin-4-one is sourced from PubChem (CID 83241990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).