3-methyl-2-(oxan-4-yl)imidazolidin-4-one

C9H16N2O2 — CID 67131658

IUPAC3-methyl-2-(oxan-4-yl)imidazolidin-4-one
SMILESCN1C(=O)CNC1C1CCOCC1
InChIInChI=1S/C9H16N2O2/c1-11-8(12)6-10-9(11)7-2-4-13-5-3-7/h7,9-10H,2-6H2,1H3
InChIKeyUCJVDULIMNBXOS-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.20
Rot. Bonds1

About 3-methyl-2-(oxan-4-yl)imidazolidin-4-one

3-methyl-2-(oxan-4-yl)imidazolidin-4-one (PubChem CID 67131658) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-methyl-2-(oxan-4-yl)imidazolidin-4-one.

Molecular Properties

Compound Name3-methyl-2-(oxan-4-yl)imidazolidin-4-one
PubChem CID67131658
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name3-methyl-2-(oxan-4-yl)imidazolidin-4-one
SMILESCN1C(=O)CNC1C1CCOCC1
InChIInChI=1S/C9H16N2O2/c1-11-8(12)6-10-9(11)7-2-4-13-5-3-7/h7,9-10H,2-6H2,1H3
InChIKeyUCJVDULIMNBXOS-UHFFFAOYSA-N
XLogP-0.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]dec-3-yl)acetamide
CID 91891671
N-butyl-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]dec-3-yl)-N-methylacetamide
CID 91919247
N-[2-[(3R)-oxan-3-yl]ethyl]-2-pyrrolidin-1-ylacetamide
CID 125444775
(5S)-3-[(2-methyloxan-4-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 132284125
N-[(4-ethyloxan-4-yl)methyl]-4-oxo-3-(2,2,2-trifluoroethyl)imidazolidine-1-carboxamide
CID 128062884
N-[(2,2-dimethyloxan-4-yl)methyl]-4-oxo-3-(3,3,3-trifluoropropyl)imidazolidine-1-carboxamide
CID 128634210
1-(Oxan-4-ylmethyl)imidazolidine-2,4,5-trione
CID 63712312
2-(carbamoylamino)-N-(oxan-4-ylmethyl)acetamide
CID 68019519
2-(3-Ethoxypropyl)imidazolidin-4-one
CID 123345095
N-(oxan-4-ylmethyl)-2-(pyrrolidin-3-ylamino)acetamide
CID 141147781
(2-Aminopyrrolidin-1-yl)-(oxan-4-yl)methanone
CID 141316140
N-[(1S)-2-amino-1-(oxan-4-yl)-2-oxoethyl]pyrrolidine-1-carboxamide
CID 146518207

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(oxan-4-yl)imidazolidin-4-one?
The IUPAC name of 3-methyl-2-(oxan-4-yl)imidazolidin-4-one (CID 67131658) is 3-methyl-2-(oxan-4-yl)imidazolidin-4-one.
What is the SMILES notation for 3-methyl-2-(oxan-4-yl)imidazolidin-4-one?
The canonical SMILES for 3-methyl-2-(oxan-4-yl)imidazolidin-4-one is CN1C(=O)CNC1C1CCOCC1.
What is the InChIKey of 3-methyl-2-(oxan-4-yl)imidazolidin-4-one?
The InChIKey is UCJVDULIMNBXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-11-8(12)6-10-9(11)7-2-4-13-5-3-7/h7,9-10H,2-6H2,1H3.
What are the key properties of 3-methyl-2-(oxan-4-yl)imidazolidin-4-one?
3-methyl-2-(oxan-4-yl)imidazolidin-4-one has a molecular weight of 184.24 g/mol, XLogP of -0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(oxan-4-yl)imidazolidin-4-one is sourced from PubChem (CID 67131658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).