3-hydroxy-1-(1-propylimidazol-2-yl)pentan-2-one

C11H18N2O2 — CID 103452891

IUPAC3-hydroxy-1-(1-propylimidazol-2-yl)pentan-2-one
SMILESCCCn1ccnc1CC(=O)C(O)CC
InChIInChI=1S/C11H18N2O2/c1-3-6-13-7-5-12-11(13)8-10(15)9(14)4-2/h5,7,9,14H,3-4,6,8H2,1-2H3
InChIKeyQFKIWXJFLPWTNQ-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.18
Rot. Bonds6

About 3-hydroxy-1-(1-propylimidazol-2-yl)pentan-2-one

3-hydroxy-1-(1-propylimidazol-2-yl)pentan-2-one (PubChem CID 103452891) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-hydroxy-1-(1-propylimidazol-2-yl)pentan-2-one.

Molecular Properties

Compound Name3-hydroxy-1-(1-propylimidazol-2-yl)pentan-2-one
PubChem CID103452891
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-hydroxy-1-(1-propylimidazol-2-yl)pentan-2-one
SMILESCCCn1ccnc1CC(=O)C(O)CC
InChIInChI=1S/C11H18N2O2/c1-3-6-13-7-5-12-11(13)8-10(15)9(14)4-2/h5,7,9,14H,3-4,6,8H2,1-2H3
InChIKeyQFKIWXJFLPWTNQ-UHFFFAOYSA-N
XLogP1.18
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116584036
4-amino-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116612267
3-methoxy-1-(1-propylimidazol-2-yl)hexan-2-one
CID 116708178
5-amino-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116594917
3-amino-5-methoxy-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116567317
1-butan-2-ylsulfanyl-3-(1-propylimidazol-2-yl)propan-2-one
CID 79744286
methyl 2-hydroxy-3-(1-propylimidazol-2-yl)propanoate
CID 79744437
(E)-1-(1-propylimidazol-2-yl)pent-3-en-2-one
CID 103453243
2-(1-propylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanone
CID 79744288
1-(2-methylpropylsulfanyl)-3-(1-propylimidazol-2-yl)propan-2-one
CID 79744194
4-(dimethylamino)-1-(1-propylimidazol-2-yl)butan-2-one
CID 115345722
2-[(1-propylimidazol-2-yl)methyl]pentanoic acid
CID 83043652

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-(1-propylimidazol-2-yl)pentan-2-one?
The IUPAC name of 3-hydroxy-1-(1-propylimidazol-2-yl)pentan-2-one (CID 103452891) is 3-hydroxy-1-(1-propylimidazol-2-yl)pentan-2-one.
What is the SMILES notation for 3-hydroxy-1-(1-propylimidazol-2-yl)pentan-2-one?
The canonical SMILES for 3-hydroxy-1-(1-propylimidazol-2-yl)pentan-2-one is CCCn1ccnc1CC(=O)C(O)CC.
What is the InChIKey of 3-hydroxy-1-(1-propylimidazol-2-yl)pentan-2-one?
The InChIKey is QFKIWXJFLPWTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-3-6-13-7-5-12-11(13)8-10(15)9(14)4-2/h5,7,9,14H,3-4,6,8H2,1-2H3.
What are the key properties of 3-hydroxy-1-(1-propylimidazol-2-yl)pentan-2-one?
3-hydroxy-1-(1-propylimidazol-2-yl)pentan-2-one has a molecular weight of 210.28 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(1-propylimidazol-2-yl)pentan-2-one is sourced from PubChem (CID 103452891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).