3-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrimidin-4-one

C13H12N2O2 — CID 99610232

IUPAC3-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrimidin-4-one
SMILESO=c1ccncn1C[C@H]1Cc2ccccc2O1
InChIInChI=1S/C13H12N2O2/c16-13-5-6-14-9-15(13)8-11-7-10-3-1-2-4-12(10)17-11/h1-6,9,11H,7-8H2/t11-/m1/s1
InChIKeyGBHQGRMQABMKRU-LLVKDONJSA-N
MW228.25 g/mol
LogP1.25
Rot. Bonds2

About 3-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrimidin-4-one

3-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrimidin-4-one (PubChem CID 99610232) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrimidin-4-one
PubChem CID99610232
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name3-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrimidin-4-one
SMILESO=c1ccncn1C[C@H]1Cc2ccccc2O1
InChIInChI=1S/C13H12N2O2/c16-13-5-6-14-9-15(13)8-11-7-10-3-1-2-4-12(10)17-11/h1-6,9,11H,7-8H2/t11-/m1/s1
InChIKeyGBHQGRMQABMKRU-LLVKDONJSA-N
XLogP1.25
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-one
CID 55052644
4-(2,3-dihydro-1-benzofuran-2-ylmethyl)morpholine-2,6-dione
CID 63777403
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-2-amine
CID 106569539
2-[3-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-4-yl]-N-methylpropan-2-amine
CID 114708234
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrolidin-3-one
CID 62233014
8-(2,3-dihydro-1-benzofuran-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one
CID 62738570
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrole-2-carboxylic acid
CID 62234275
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethylimidazol-2-amine
CID 106569578
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)azetidine-3-carboxylic acid
CID 66364000
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6,7-dihydro-5H-indol-4-one
CID 62233023
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)indole-2,3-dione
CID 66363787
2,3-dihydro-1-benzofuran-2-ylmethyl(dimethyl)azanium chloride
CID 44658129

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrimidin-4-one?
The IUPAC name of 3-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrimidin-4-one (CID 99610232) is 3-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 3-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 3-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrimidin-4-one is O=c1ccncn1C[C@H]1Cc2ccccc2O1.
What is the InChIKey of 3-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrimidin-4-one?
The InChIKey is GBHQGRMQABMKRU-LLVKDONJSA-N. The full InChI is InChI=1S/C13H12N2O2/c16-13-5-6-14-9-15(13)8-11-7-10-3-1-2-4-12(10)17-11/h1-6,9,11H,7-8H2/t11-/m1/s1.
What are the key properties of 3-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrimidin-4-one?
3-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrimidin-4-one has a molecular weight of 228.25 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 99610232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).