1-methyl-3-(oxan-4-ylmethyl)imidazol-2-one

C10H16N2O2 — CID 115773744

IUPAC1-methyl-3-(oxan-4-ylmethyl)imidazol-2-one
SMILESCn1ccn(CC2CCOCC2)c1=O
InChIInChI=1S/C10H16N2O2/c1-11-4-5-12(10(11)13)8-9-2-6-14-7-3-9/h4-5,9H,2-3,6-8H2,1H3
InChIKeyRRNSIFTWMGFDMF-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.61
Rot. Bonds2

About 1-methyl-3-(oxan-4-ylmethyl)imidazol-2-one

1-methyl-3-(oxan-4-ylmethyl)imidazol-2-one (PubChem CID 115773744) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-methyl-3-(oxan-4-ylmethyl)imidazol-2-one.

Molecular Properties

Compound Name1-methyl-3-(oxan-4-ylmethyl)imidazol-2-one
PubChem CID115773744
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-methyl-3-(oxan-4-ylmethyl)imidazol-2-one
SMILESCn1ccn(CC2CCOCC2)c1=O
InChIInChI=1S/C10H16N2O2/c1-11-4-5-12(10(11)13)8-9-2-6-14-7-3-9/h4-5,9H,2-3,6-8H2,1H3
InChIKeyRRNSIFTWMGFDMF-UHFFFAOYSA-N
XLogP0.61
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(oxan-4-ylmethyl)imidazol-2-one?
The IUPAC name of 1-methyl-3-(oxan-4-ylmethyl)imidazol-2-one (CID 115773744) is 1-methyl-3-(oxan-4-ylmethyl)imidazol-2-one.
What is the SMILES notation for 1-methyl-3-(oxan-4-ylmethyl)imidazol-2-one?
The canonical SMILES for 1-methyl-3-(oxan-4-ylmethyl)imidazol-2-one is Cn1ccn(CC2CCOCC2)c1=O.
What is the InChIKey of 1-methyl-3-(oxan-4-ylmethyl)imidazol-2-one?
The InChIKey is RRNSIFTWMGFDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-11-4-5-12(10(11)13)8-9-2-6-14-7-3-9/h4-5,9H,2-3,6-8H2,1H3.
What are the key properties of 1-methyl-3-(oxan-4-ylmethyl)imidazol-2-one?
1-methyl-3-(oxan-4-ylmethyl)imidazol-2-one has a molecular weight of 196.25 g/mol, XLogP of 0.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(oxan-4-ylmethyl)imidazol-2-one is sourced from PubChem (CID 115773744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).