3-(1,3-dioxolan-2-yl)-1-imidazol-1-ylpropan-1-one

C9H12N2O3 — CID 24975542

IUPAC3-(1,3-dioxolan-2-yl)-1-imidazol-1-ylpropan-1-one
SMILESO=C(CCC1OCCO1)n1ccnc1
InChIInChI=1S/C9H12N2O3/c12-8(11-4-3-10-7-11)1-2-9-13-5-6-14-9/h3-4,7,9H,1-2,5-6H2
InChIKeyVZXAUOMSVICACH-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.68
Rot. Bonds3

About 3-(1,3-dioxolan-2-yl)-1-imidazol-1-ylpropan-1-one

3-(1,3-dioxolan-2-yl)-1-imidazol-1-ylpropan-1-one (PubChem CID 24975542) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 3-(1,3-dioxolan-2-yl)-1-imidazol-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(1,3-dioxolan-2-yl)-1-imidazol-1-ylpropan-1-one
PubChem CID24975542
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name3-(1,3-dioxolan-2-yl)-1-imidazol-1-ylpropan-1-one
SMILESO=C(CCC1OCCO1)n1ccnc1
InChIInChI=1S/C9H12N2O3/c12-8(11-4-3-10-7-11)1-2-9-13-5-6-14-9/h3-4,7,9H,1-2,5-6H2
InChIKeyVZXAUOMSVICACH-UHFFFAOYSA-N
XLogP0.68
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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4-(3-imidazol-1-yl-3-oxopropyl)azetidin-2-one
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4-bromo-1-imidazol-1-ylbutan-1-one
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4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-1-imidazol-1-ylundecan-1-one
CID 14151128
5-(3H-dithiol-3-yl)-1-imidazol-1-ylpentan-1-one
CID 140991685
1-imidazol-1-yl-6-methoxyhexan-1-one
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1-imidazol-1-yl-6-methylhept-5-en-1-one
CID 164676310
1-imidazol-1-ylbut-3-en-1-one
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CID 59547612
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CID 82113731

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxolan-2-yl)-1-imidazol-1-ylpropan-1-one?
The IUPAC name of 3-(1,3-dioxolan-2-yl)-1-imidazol-1-ylpropan-1-one (CID 24975542) is 3-(1,3-dioxolan-2-yl)-1-imidazol-1-ylpropan-1-one.
What is the SMILES notation for 3-(1,3-dioxolan-2-yl)-1-imidazol-1-ylpropan-1-one?
The canonical SMILES for 3-(1,3-dioxolan-2-yl)-1-imidazol-1-ylpropan-1-one is O=C(CCC1OCCO1)n1ccnc1.
What is the InChIKey of 3-(1,3-dioxolan-2-yl)-1-imidazol-1-ylpropan-1-one?
The InChIKey is VZXAUOMSVICACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c12-8(11-4-3-10-7-11)1-2-9-13-5-6-14-9/h3-4,7,9H,1-2,5-6H2.
What are the key properties of 3-(1,3-dioxolan-2-yl)-1-imidazol-1-ylpropan-1-one?
3-(1,3-dioxolan-2-yl)-1-imidazol-1-ylpropan-1-one has a molecular weight of 196.21 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxolan-2-yl)-1-imidazol-1-ylpropan-1-one is sourced from PubChem (CID 24975542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).