[(3S)-2-oxooxolan-3-yl] 4-oxo-3-propylphthalazine-1-carboxylate

C16H16N2O5 — CID 2602901

IUPAC[(3S)-2-oxooxolan-3-yl] 4-oxo-3-propylphthalazine-1-carboxylate
SMILESCCCn1nc(C(=O)O[C@H]2CCOC2=O)c2ccccc2c1=O
InChIInChI=1S/C16H16N2O5/c1-2-8-18-14(19)11-6-4-3-5-10(11)13(17-18)16(21)23-12-7-9-22-15(12)20/h3-6,12H,2,7-9H2,1H3/t12-/m0/s1
InChIKeyVOJOBRIVZZPAMP-LBPRGKRZSA-N
MW316.31 g/mol
LogP1.28
Rot. Bonds4

About [(3S)-2-oxooxolan-3-yl] 4-oxo-3-propylphthalazine-1-carboxylate

[(3S)-2-oxooxolan-3-yl] 4-oxo-3-propylphthalazine-1-carboxylate (PubChem CID 2602901) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is [(3S)-2-oxooxolan-3-yl] 4-oxo-3-propylphthalazine-1-carboxylate.

Molecular Properties

Compound Name[(3S)-2-oxooxolan-3-yl] 4-oxo-3-propylphthalazine-1-carboxylate
PubChem CID2602901
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name[(3S)-2-oxooxolan-3-yl] 4-oxo-3-propylphthalazine-1-carboxylate
SMILESCCCn1nc(C(=O)O[C@H]2CCOC2=O)c2ccccc2c1=O
InChIInChI=1S/C16H16N2O5/c1-2-8-18-14(19)11-6-4-3-5-10(11)13(17-18)16(21)23-12-7-9-22-15(12)20/h3-6,12H,2,7-9H2,1H3/t12-/m0/s1
InChIKeyVOJOBRIVZZPAMP-LBPRGKRZSA-N
XLogP1.28
TPSA87.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(3S)-2-oxooxolan-3-yl] 4-oxo-3-propylphthalazine-1-carboxylate?
The IUPAC name of [(3S)-2-oxooxolan-3-yl] 4-oxo-3-propylphthalazine-1-carboxylate (CID 2602901) is [(3S)-2-oxooxolan-3-yl] 4-oxo-3-propylphthalazine-1-carboxylate.
What is the SMILES notation for [(3S)-2-oxooxolan-3-yl] 4-oxo-3-propylphthalazine-1-carboxylate?
The canonical SMILES for [(3S)-2-oxooxolan-3-yl] 4-oxo-3-propylphthalazine-1-carboxylate is CCCn1nc(C(=O)O[C@H]2CCOC2=O)c2ccccc2c1=O.
What is the InChIKey of [(3S)-2-oxooxolan-3-yl] 4-oxo-3-propylphthalazine-1-carboxylate?
The InChIKey is VOJOBRIVZZPAMP-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H16N2O5/c1-2-8-18-14(19)11-6-4-3-5-10(11)13(17-18)16(21)23-12-7-9-22-15(12)20/h3-6,12H,2,7-9H2,1H3/t12-/m0/s1.
What are the key properties of [(3S)-2-oxooxolan-3-yl] 4-oxo-3-propylphthalazine-1-carboxylate?
[(3S)-2-oxooxolan-3-yl] 4-oxo-3-propylphthalazine-1-carboxylate has a molecular weight of 316.31 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2-oxooxolan-3-yl] 4-oxo-3-propylphthalazine-1-carboxylate is sourced from PubChem (CID 2602901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).