2-methyl-3-[(3-methyloxolan-3-yl)methyl]imidazolidin-4-one

C10H18N2O2 — CID 130854723

IUPAC2-methyl-3-[(3-methyloxolan-3-yl)methyl]imidazolidin-4-one
SMILESCC1NCC(=O)N1CC1(C)CCOC1
InChIInChI=1S/C10H18N2O2/c1-8-11-5-9(13)12(8)6-10(2)3-4-14-7-10/h8,11H,3-7H2,1-2H3
InChIKeyNLRHIKOYLBCWFV-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.19
Rot. Bonds2

About 2-methyl-3-[(3-methyloxolan-3-yl)methyl]imidazolidin-4-one

2-methyl-3-[(3-methyloxolan-3-yl)methyl]imidazolidin-4-one (PubChem CID 130854723) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-methyl-3-[(3-methyloxolan-3-yl)methyl]imidazolidin-4-one.

Molecular Properties

Compound Name2-methyl-3-[(3-methyloxolan-3-yl)methyl]imidazolidin-4-one
PubChem CID130854723
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-methyl-3-[(3-methyloxolan-3-yl)methyl]imidazolidin-4-one
SMILESCC1NCC(=O)N1CC1(C)CCOC1
InChIInChI=1S/C10H18N2O2/c1-8-11-5-9(13)12(8)6-10(2)3-4-14-7-10/h8,11H,3-7H2,1-2H3
InChIKeyNLRHIKOYLBCWFV-UHFFFAOYSA-N
XLogP0.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(3-methyloxolan-3-yl)methyl]imidazolidin-4-one?
The IUPAC name of 2-methyl-3-[(3-methyloxolan-3-yl)methyl]imidazolidin-4-one (CID 130854723) is 2-methyl-3-[(3-methyloxolan-3-yl)methyl]imidazolidin-4-one.
What is the SMILES notation for 2-methyl-3-[(3-methyloxolan-3-yl)methyl]imidazolidin-4-one?
The canonical SMILES for 2-methyl-3-[(3-methyloxolan-3-yl)methyl]imidazolidin-4-one is CC1NCC(=O)N1CC1(C)CCOC1.
What is the InChIKey of 2-methyl-3-[(3-methyloxolan-3-yl)methyl]imidazolidin-4-one?
The InChIKey is NLRHIKOYLBCWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-8-11-5-9(13)12(8)6-10(2)3-4-14-7-10/h8,11H,3-7H2,1-2H3.
What are the key properties of 2-methyl-3-[(3-methyloxolan-3-yl)methyl]imidazolidin-4-one?
2-methyl-3-[(3-methyloxolan-3-yl)methyl]imidazolidin-4-one has a molecular weight of 198.27 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(3-methyloxolan-3-yl)methyl]imidazolidin-4-one is sourced from PubChem (CID 130854723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).