1-ethyl-3-propylimidazol-2-one

C8H14N2O — CID 20597783

IUPAC1-ethyl-3-propylimidazol-2-one
SMILESCCCn1ccn(CC)c1=O
InChIInChI=1S/C8H14N2O/c1-3-5-10-7-6-9(4-2)8(10)11/h6-7H,3-5H2,1-2H3
InChIKeyHDKNCYAHNPZBDR-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.08
Rot. Bonds3

About 1-ethyl-3-propylimidazol-2-one

1-ethyl-3-propylimidazol-2-one (PubChem CID 20597783) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-ethyl-3-propylimidazol-2-one.

Molecular Properties

Compound Name1-ethyl-3-propylimidazol-2-one
PubChem CID20597783
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name1-ethyl-3-propylimidazol-2-one
SMILESCCCn1ccn(CC)c1=O
InChIInChI=1S/C8H14N2O/c1-3-5-10-7-6-9(4-2)8(10)11/h6-7H,3-5H2,1-2H3
InChIKeyHDKNCYAHNPZBDR-UHFFFAOYSA-N
XLogP1.08
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-Dihydro-1-[4-(dimethylamino)-2-butynyl]-3-methyl-2H-imidazol-2-one
CID 15065518
1,3-Dimethyl-2-imidazolone
CID 6933312
1,3-Divinyltetrahydro-1H-pyrimidin-2-one
CID 119815
1,3-Di-t-butylimidazol-2-one
CID 11435534
1-Butyl-3-methyl-1H-imidazol-2(3H)-one
CID 45088397
1-Hexyl-3-methylimidazol-2-one
CID 91481297
1,3-Dibutylimidazol-2-one
CID 152141803
1,3-Dibutyl-4-fluoroimidazol-2-one
CID 151172496
Trifluoro-[(2-oxo-3-propylimidazol-1-yl)methyl]boranuide
CID 80582844
1-Ethyl-3-(4,4,4-trifluorobutyl)imidazol-2-one
CID 116624170
1-Ethyl-3-(3,3,3-trifluoropropyl)imidazol-2-one
CID 116624294
1-Ethyl-3-(2-fluoroethyl)imidazol-2-one
CID 116624320

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-propylimidazol-2-one?
The IUPAC name of 1-ethyl-3-propylimidazol-2-one (CID 20597783) is 1-ethyl-3-propylimidazol-2-one.
What is the SMILES notation for 1-ethyl-3-propylimidazol-2-one?
The canonical SMILES for 1-ethyl-3-propylimidazol-2-one is CCCn1ccn(CC)c1=O.
What is the InChIKey of 1-ethyl-3-propylimidazol-2-one?
The InChIKey is HDKNCYAHNPZBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-3-5-10-7-6-9(4-2)8(10)11/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-ethyl-3-propylimidazol-2-one?
1-ethyl-3-propylimidazol-2-one has a molecular weight of 154.21 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-propylimidazol-2-one is sourced from PubChem (CID 20597783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).