4-methyl-2-(oxolan-2-yl)-1,4-dihydroimidazol-5-one

C8H12N2O2 — CID 106952084

IUPAC4-methyl-2-(oxolan-2-yl)-1,4-dihydroimidazol-5-one
SMILESCC1N=C(C2CCCO2)NC1=O
InChIInChI=1S/C8H12N2O2/c1-5-8(11)10-7(9-5)6-3-2-4-12-6/h5-6H,2-4H2,1H3,(H,9,10,11)
InChIKeyPLMGASFHOWRPJS-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.08
Rot. Bonds1

About 4-methyl-2-(oxolan-2-yl)-1,4-dihydroimidazol-5-one

4-methyl-2-(oxolan-2-yl)-1,4-dihydroimidazol-5-one (PubChem CID 106952084) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 4-methyl-2-(oxolan-2-yl)-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name4-methyl-2-(oxolan-2-yl)-1,4-dihydroimidazol-5-one
PubChem CID106952084
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name4-methyl-2-(oxolan-2-yl)-1,4-dihydroimidazol-5-one
SMILESCC1N=C(C2CCCO2)NC1=O
InChIInChI=1S/C8H12N2O2/c1-5-8(11)10-7(9-5)6-3-2-4-12-6/h5-6H,2-4H2,1H3,(H,9,10,11)
InChIKeyPLMGASFHOWRPJS-UHFFFAOYSA-N
XLogP0.08
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-3-(oxolan-2-yl)-1H-pyridazin-6-one
CID 117105684
3-methyl-4-(oxolan-2-yl)pyrrolidin-2-one
CID 131123608
2,3,5-trimethyl-6-(oxolan-2-yl)cyclohexa-2,5-diene-1,4-dione
CID 67857463
(4aS,8aS)-2-methylsulfanyl-3,4a,5,6,7,8a-hexahydropyrano[2,3-d]pyrimidin-4-one
CID 24773775
2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 65331461
4-(azetidin-3-yl)-2-methyl-5-(oxolan-2-yl)-1,2,4-triazol-3-one
CID 121208079
2-(hydroxymethyl)-4-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 137191445
4-hydroxy-2-(oxolan-2-yl)-5-propyl-1H-pyrimidin-6-one
CID 65331631
2-(chloromethyl)-4-[(2S)-oxolan-2-yl]-1H-pyrimidin-6-one
CID 137119603
3-methyl-4-(oxolane-2-carbonyl)piperazine-2,6-dione
CID 66063083
3-methyl-4-[(2R)-oxolane-2-carbonyl]piperazine-2,6-dione
CID 104856137
2,4-dimethyloxepan-3-one
CID 19870825

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(oxolan-2-yl)-1,4-dihydroimidazol-5-one?
The IUPAC name of 4-methyl-2-(oxolan-2-yl)-1,4-dihydroimidazol-5-one (CID 106952084) is 4-methyl-2-(oxolan-2-yl)-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 4-methyl-2-(oxolan-2-yl)-1,4-dihydroimidazol-5-one?
The canonical SMILES for 4-methyl-2-(oxolan-2-yl)-1,4-dihydroimidazol-5-one is CC1N=C(C2CCCO2)NC1=O.
What is the InChIKey of 4-methyl-2-(oxolan-2-yl)-1,4-dihydroimidazol-5-one?
The InChIKey is PLMGASFHOWRPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-5-8(11)10-7(9-5)6-3-2-4-12-6/h5-6H,2-4H2,1H3,(H,9,10,11).
What are the key properties of 4-methyl-2-(oxolan-2-yl)-1,4-dihydroimidazol-5-one?
4-methyl-2-(oxolan-2-yl)-1,4-dihydroimidazol-5-one has a molecular weight of 168.20 g/mol, XLogP of 0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(oxolan-2-yl)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106952084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).