(4-cyclopropylphenyl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate

C15H15NO5 — CID 23577252

IUPAC(4-cyclopropylphenyl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate
SMILESO=C(OCc1ccc(C2CC2)cc1)ON1C(=O)CCC1=O
InChIInChI=1S/C15H15NO5/c17-13-7-8-14(18)16(13)21-15(19)20-9-10-1-3-11(4-2-10)12-5-6-12/h1-4,12H,5-9H2
InChIKeyKWTKSQKNEIUFJP-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.28
Rot. Bonds4

About (4-cyclopropylphenyl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate

(4-cyclopropylphenyl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate (PubChem CID 23577252) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is (4-cyclopropylphenyl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate.

Molecular Properties

Compound Name(4-cyclopropylphenyl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate
PubChem CID23577252
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name(4-cyclopropylphenyl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate
SMILESO=C(OCc1ccc(C2CC2)cc1)ON1C(=O)CCC1=O
InChIInChI=1S/C15H15NO5/c17-13-7-8-14(18)16(13)21-15(19)20-9-10-1-3-11(4-2-10)12-5-6-12/h1-4,12H,5-9H2
InChIKeyKWTKSQKNEIUFJP-UHFFFAOYSA-N
XLogP2.28
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-cyclopropylphenyl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate?
The IUPAC name of (4-cyclopropylphenyl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate (CID 23577252) is (4-cyclopropylphenyl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate.
What is the SMILES notation for (4-cyclopropylphenyl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate?
The canonical SMILES for (4-cyclopropylphenyl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate is O=C(OCc1ccc(C2CC2)cc1)ON1C(=O)CCC1=O.
What is the InChIKey of (4-cyclopropylphenyl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate?
The InChIKey is KWTKSQKNEIUFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c17-13-7-8-14(18)16(13)21-15(19)20-9-10-1-3-11(4-2-10)12-5-6-12/h1-4,12H,5-9H2.
What are the key properties of (4-cyclopropylphenyl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate?
(4-cyclopropylphenyl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate has a molecular weight of 289.29 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropylphenyl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate is sourced from PubChem (CID 23577252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).