1-methyl-3-propylimidazolidin-2-one

C7H14N2O — CID 14177965

IUPAC1-methyl-3-propylimidazolidin-2-one
SMILESCCCN1CCN(C)C1=O
InChIInChI=1S/C7H14N2O/c1-3-4-9-6-5-8(2)7(9)10/h3-6H2,1-2H3
InChIKeyBTXWBRFMGNZXBM-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.76
Rot. Bonds2

About 1-methyl-3-propylimidazolidin-2-one

1-methyl-3-propylimidazolidin-2-one (PubChem CID 14177965) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-methyl-3-propylimidazolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-propylimidazolidin-2-one
PubChem CID14177965
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name1-methyl-3-propylimidazolidin-2-one
SMILESCCCN1CCN(C)C1=O
InChIInChI=1S/C7H14N2O/c1-3-4-9-6-5-8(2)7(9)10/h3-6H2,1-2H3
InChIKeyBTXWBRFMGNZXBM-UHFFFAOYSA-N
XLogP0.76
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propylimidazolidin-2-one?
The IUPAC name of 1-methyl-3-propylimidazolidin-2-one (CID 14177965) is 1-methyl-3-propylimidazolidin-2-one.
What is the SMILES notation for 1-methyl-3-propylimidazolidin-2-one?
The canonical SMILES for 1-methyl-3-propylimidazolidin-2-one is CCCN1CCN(C)C1=O.
What is the InChIKey of 1-methyl-3-propylimidazolidin-2-one?
The InChIKey is BTXWBRFMGNZXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-3-4-9-6-5-8(2)7(9)10/h3-6H2,1-2H3.
What are the key properties of 1-methyl-3-propylimidazolidin-2-one?
1-methyl-3-propylimidazolidin-2-one has a molecular weight of 142.20 g/mol, XLogP of 0.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propylimidazolidin-2-one is sourced from PubChem (CID 14177965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).