1'-[2-(2-oxopyrimidin-1-yl)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one

C18H17N3O4 — CID 74244151

IUPAC1'-[2-(2-oxopyrimidin-1-yl)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESO=C1CC2(CCN(C(=O)Cn3cccnc3=O)C2)Oc2ccccc21
InChIInChI=1S/C18H17N3O4/c22-14-10-18(25-15-5-2-1-4-13(14)15)6-9-21(12-18)16(23)11-20-8-3-7-19-17(20)24/h1-5,7-8H,6,9-12H2
InChIKeyHGLORLLRHKBPJA-UHFFFAOYSA-N
MW339.35 g/mol
LogP0.88
Rot. Bonds2

About 1'-[2-(2-oxopyrimidin-1-yl)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one

1'-[2-(2-oxopyrimidin-1-yl)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one (PubChem CID 74244151) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 1'-[2-(2-oxopyrimidin-1-yl)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one.

Molecular Properties

Compound Name1'-[2-(2-oxopyrimidin-1-yl)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
PubChem CID74244151
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name1'-[2-(2-oxopyrimidin-1-yl)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESO=C1CC2(CCN(C(=O)Cn3cccnc3=O)C2)Oc2ccccc21
InChIInChI=1S/C18H17N3O4/c22-14-10-18(25-15-5-2-1-4-13(14)15)6-9-21(12-18)16(23)11-20-8-3-7-19-17(20)24/h1-5,7-8H,6,9-12H2
InChIKeyHGLORLLRHKBPJA-UHFFFAOYSA-N
XLogP0.88
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-[2-(2-oxopyrimidin-1-yl)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The IUPAC name of 1'-[2-(2-oxopyrimidin-1-yl)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one (CID 74244151) is 1'-[2-(2-oxopyrimidin-1-yl)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one.
What is the SMILES notation for 1'-[2-(2-oxopyrimidin-1-yl)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The canonical SMILES for 1'-[2-(2-oxopyrimidin-1-yl)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one is O=C1CC2(CCN(C(=O)Cn3cccnc3=O)C2)Oc2ccccc21.
What is the InChIKey of 1'-[2-(2-oxopyrimidin-1-yl)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The InChIKey is HGLORLLRHKBPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c22-14-10-18(25-15-5-2-1-4-13(14)15)6-9-21(12-18)16(23)11-20-8-3-7-19-17(20)24/h1-5,7-8H,6,9-12H2.
What are the key properties of 1'-[2-(2-oxopyrimidin-1-yl)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
1'-[2-(2-oxopyrimidin-1-yl)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one has a molecular weight of 339.35 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(2-oxopyrimidin-1-yl)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one is sourced from PubChem (CID 74244151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).