1-cyclopropyl-3-[2-(1,3-dioxolan-2-yl)-3-pyridinyl]propan-1-one

C14H17NO3 — CID 146205231

IUPAC1-cyclopropyl-3-[2-(1,3-dioxolan-2-yl)-3-pyridinyl]propan-1-one
SMILESO=C(CCc1cccnc1C1OCCO1)C1CC1
InChIInChI=1S/C14H17NO3/c16-12(10-3-4-10)6-5-11-2-1-7-15-13(11)14-17-8-9-18-14/h1-2,7,10,14H,3-6,8-9H2
InChIKeyYWLBANHSPKVZIZ-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.04
Rot. Bonds5

About 1-cyclopropyl-3-[2-(1,3-dioxolan-2-yl)-3-pyridinyl]propan-1-one

1-cyclopropyl-3-[2-(1,3-dioxolan-2-yl)-3-pyridinyl]propan-1-one (PubChem CID 146205231) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-(1,3-dioxolan-2-yl)-3-pyridinyl]propan-1-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-(1,3-dioxolan-2-yl)-3-pyridinyl]propan-1-one
PubChem CID146205231
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name1-cyclopropyl-3-[2-(1,3-dioxolan-2-yl)-3-pyridinyl]propan-1-one
SMILESO=C(CCc1cccnc1C1OCCO1)C1CC1
InChIInChI=1S/C14H17NO3/c16-12(10-3-4-10)6-5-11-2-1-7-15-13(11)14-17-8-9-18-14/h1-2,7,10,14H,3-6,8-9H2
InChIKeyYWLBANHSPKVZIZ-UHFFFAOYSA-N
XLogP2.04
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-3-(2-methylphenyl)propan-1-one
CID 24725657
1-cyclopropyl-3-(2-fluorophenyl)propan-1-one
CID 63351757
1-cyclohexyl-3-(2-pyridin-2-ylphenyl)propan-1-one
CID 72723755
3-(2-cyclobutylphenyl)-1-cyclopropylpropan-1-one
CID 114606118
1-cyclopropyl-3-phenylpropan-1-one
CID 24725607
1-(oxan-4-yl)-2-pyrimidin-2-ylethanone
CID 116833106
1-cyclobutyl-3-(2-methylsulfanylphenyl)propan-1-one
CID 24725961
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-thiophen-2-ylbutan-1-one
CID 105115445
1-cyclobutyl-3-(2,3-dimethylphenyl)propan-1-one
CID 24726267
1-(oxolan-3-yl)-3-pyridin-3-ylpropan-1-one
CID 105099703
1-cyclobutyl-3-thiophen-2-ylpropan-1-one
CID 64982146
1-cyclopropyl-3-(2,5-difluorophenyl)propan-1-one
CID 63351882

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-(1,3-dioxolan-2-yl)-3-pyridinyl]propan-1-one?
The IUPAC name of 1-cyclopropyl-3-[2-(1,3-dioxolan-2-yl)-3-pyridinyl]propan-1-one (CID 146205231) is 1-cyclopropyl-3-[2-(1,3-dioxolan-2-yl)-3-pyridinyl]propan-1-one.
What is the SMILES notation for 1-cyclopropyl-3-[2-(1,3-dioxolan-2-yl)-3-pyridinyl]propan-1-one?
The canonical SMILES for 1-cyclopropyl-3-[2-(1,3-dioxolan-2-yl)-3-pyridinyl]propan-1-one is O=C(CCc1cccnc1C1OCCO1)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-[2-(1,3-dioxolan-2-yl)-3-pyridinyl]propan-1-one?
The InChIKey is YWLBANHSPKVZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c16-12(10-3-4-10)6-5-11-2-1-7-15-13(11)14-17-8-9-18-14/h1-2,7,10,14H,3-6,8-9H2.
What are the key properties of 1-cyclopropyl-3-[2-(1,3-dioxolan-2-yl)-3-pyridinyl]propan-1-one?
1-cyclopropyl-3-[2-(1,3-dioxolan-2-yl)-3-pyridinyl]propan-1-one has a molecular weight of 247.29 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-(1,3-dioxolan-2-yl)-3-pyridinyl]propan-1-one is sourced from PubChem (CID 146205231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).