1-ethyl-3-(3-hydroxybutan-2-yl)imidazol-2-one

C9H16N2O2 — CID 80581257

IUPAC1-ethyl-3-(3-hydroxybutan-2-yl)imidazol-2-one
SMILESCCn1ccn(C(C)C(C)O)c1=O
InChIInChI=1S/C9H16N2O2/c1-4-10-5-6-11(9(10)13)7(2)8(3)12/h5-8,12H,4H2,1-3H3
InChIKeyWXSCPANLIUTGBK-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.61
Rot. Bonds3

About 1-ethyl-3-(3-hydroxybutan-2-yl)imidazol-2-one

1-ethyl-3-(3-hydroxybutan-2-yl)imidazol-2-one (PubChem CID 80581257) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-ethyl-3-(3-hydroxybutan-2-yl)imidazol-2-one.

Molecular Properties

Compound Name1-ethyl-3-(3-hydroxybutan-2-yl)imidazol-2-one
PubChem CID80581257
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-ethyl-3-(3-hydroxybutan-2-yl)imidazol-2-one
SMILESCCn1ccn(C(C)C(C)O)c1=O
InChIInChI=1S/C9H16N2O2/c1-4-10-5-6-11(9(10)13)7(2)8(3)12/h5-8,12H,4H2,1-3H3
InChIKeyWXSCPANLIUTGBK-UHFFFAOYSA-N
XLogP0.61
TPSA47.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluoro-2-hydroxypropyl)-3-methyl-2,3-dihydro-1H-imidazol-2-one
CID 165595262
1-ethyl-3-(3-fluoro-2-hydroxypropyl)-2,3-dihydro-1H-imidazol-2-one
CID 165595567
1-(3-fluoro-2-hydroxypropyl)-3-(propan-2-yl)-2,3-dihydro-1H-imidazol-2-one
CID 165595894
1-cyclopropyl-3-(3-fluoro-2-hydroxypropyl)-2,3-dihydro-1H-imidazol-2-one
CID 165600794
1-[3-(2-hydroxypropyl)-2H-imidazol-1-yl]propan-2-ol
CID 69236129
4-Hydroxy-3-(2-hydroxyethyl)-1-propan-2-ylimidazol-2-one
CID 91091137
3-(2-hydroxypentan-3-yl)-1H-imidazol-2-one
CID 131162675
1-[(2R,3S)-2-hydroxypentan-3-yl]-3-methylimidazol-2-one
CID 137411210
1-(2-Hydroxyethyl)-3-propan-2-ylimidazol-2-one
CID 80581216
1-(4-Hydroxybutyl)-3-propan-2-ylimidazol-2-one
CID 80581217
1-Ethyl-3-(2-hydroxypropyl)imidazol-2-one
CID 80581237
1-Ethyl-3-(2-hydroxybutyl)imidazol-2-one
CID 80581301

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3-hydroxybutan-2-yl)imidazol-2-one?
The IUPAC name of 1-ethyl-3-(3-hydroxybutan-2-yl)imidazol-2-one (CID 80581257) is 1-ethyl-3-(3-hydroxybutan-2-yl)imidazol-2-one.
What is the SMILES notation for 1-ethyl-3-(3-hydroxybutan-2-yl)imidazol-2-one?
The canonical SMILES for 1-ethyl-3-(3-hydroxybutan-2-yl)imidazol-2-one is CCn1ccn(C(C)C(C)O)c1=O.
What is the InChIKey of 1-ethyl-3-(3-hydroxybutan-2-yl)imidazol-2-one?
The InChIKey is WXSCPANLIUTGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-4-10-5-6-11(9(10)13)7(2)8(3)12/h5-8,12H,4H2,1-3H3.
What are the key properties of 1-ethyl-3-(3-hydroxybutan-2-yl)imidazol-2-one?
1-ethyl-3-(3-hydroxybutan-2-yl)imidazol-2-one has a molecular weight of 184.24 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-hydroxybutan-2-yl)imidazol-2-one is sourced from PubChem (CID 80581257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).