4-hydroxy-1-(1-propylimidazol-2-yl)butan-1-one

C10H16N2O2 — CID 106677480

IUPAC4-hydroxy-1-(1-propylimidazol-2-yl)butan-1-one
SMILESCCCn1ccnc1C(=O)CCCO
InChIInChI=1S/C10H16N2O2/c1-2-6-12-7-5-11-10(12)9(14)4-3-8-13/h5,7,13H,2-4,6,8H2,1H3
InChIKeyHSCYTHPMGAHPTE-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.25
Rot. Bonds6

About 4-hydroxy-1-(1-propylimidazol-2-yl)butan-1-one

4-hydroxy-1-(1-propylimidazol-2-yl)butan-1-one (PubChem CID 106677480) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-hydroxy-1-(1-propylimidazol-2-yl)butan-1-one.

Molecular Properties

Compound Name4-hydroxy-1-(1-propylimidazol-2-yl)butan-1-one
PubChem CID106677480
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name4-hydroxy-1-(1-propylimidazol-2-yl)butan-1-one
SMILESCCCn1ccnc1C(=O)CCCO
InChIInChI=1S/C10H16N2O2/c1-2-6-12-7-5-11-10(12)9(14)4-3-8-13/h5,7,13H,2-4,6,8H2,1H3
InChIKeyHSCYTHPMGAHPTE-UHFFFAOYSA-N
XLogP1.25
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-propylimidazol-2-yl)pentan-1-one
CID 79404906
1-(1-propylimidazol-2-yl)heptan-1-one
CID 114972716
3-methylsulfanyl-1-(1-propylimidazol-2-yl)propan-1-one
CID 105100693
1-(1-propylimidazol-2-yl)-2-propylsulfanylethanone
CID 65129636
2-methoxy-1-(1-propylimidazol-2-yl)ethanone
CID 63977312
3-(4-aminophenyl)-1-(1-propylimidazol-2-yl)propan-1-one
CID 116605540
3-(2-methylphenyl)-1-(1-propylimidazol-2-yl)propan-1-one
CID 105100680
(E)-2-ethyl-1-(1-propylimidazol-2-yl)but-2-en-1-one
CID 103447433
2,2-difluoro-1-(1-propylimidazol-2-yl)ethanone
CID 112574278
1-(3-hydroxypropyl)imidazole-2-carboxamide
CID 173085384
1-(1-ethylimidazol-2-yl)-3-(methylamino)propan-1-one
CID 116561163
2-naphthalen-1-yl-1-(1-propylimidazol-2-yl)ethanone
CID 105100591

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(1-propylimidazol-2-yl)butan-1-one?
The IUPAC name of 4-hydroxy-1-(1-propylimidazol-2-yl)butan-1-one (CID 106677480) is 4-hydroxy-1-(1-propylimidazol-2-yl)butan-1-one.
What is the SMILES notation for 4-hydroxy-1-(1-propylimidazol-2-yl)butan-1-one?
The canonical SMILES for 4-hydroxy-1-(1-propylimidazol-2-yl)butan-1-one is CCCn1ccnc1C(=O)CCCO.
What is the InChIKey of 4-hydroxy-1-(1-propylimidazol-2-yl)butan-1-one?
The InChIKey is HSCYTHPMGAHPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-2-6-12-7-5-11-10(12)9(14)4-3-8-13/h5,7,13H,2-4,6,8H2,1H3.
What are the key properties of 4-hydroxy-1-(1-propylimidazol-2-yl)butan-1-one?
4-hydroxy-1-(1-propylimidazol-2-yl)butan-1-one has a molecular weight of 196.25 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(1-propylimidazol-2-yl)butan-1-one is sourced from PubChem (CID 106677480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).