(1,3-dioxoisoindol-2-yl) 1-phenylcyclopropane-1-carboxylate

C18H13NO4 — CID 146479586

IUPAC(1,3-dioxoisoindol-2-yl) 1-phenylcyclopropane-1-carboxylate
SMILESO=C1c2ccccc2C(=O)N1OC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C18H13NO4/c20-15-13-8-4-5-9-14(13)16(21)19(15)23-17(22)18(10-11-18)12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKeyWYAGOMKRJQNFHA-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.47
Rot. Bonds3

About (1,3-dioxoisoindol-2-yl) 1-phenylcyclopropane-1-carboxylate

(1,3-dioxoisoindol-2-yl) 1-phenylcyclopropane-1-carboxylate (PubChem CID 146479586) has the molecular formula C18H13NO4 and a molecular weight of 307.31 g/mol. Its IUPAC name is (1,3-dioxoisoindol-2-yl) 1-phenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name(1,3-dioxoisoindol-2-yl) 1-phenylcyclopropane-1-carboxylate
PubChem CID146479586
Molecular FormulaC18H13NO4
Molecular Weight307.31 g/mol
Exact Mass307.08
IUPAC Name(1,3-dioxoisoindol-2-yl) 1-phenylcyclopropane-1-carboxylate
SMILESO=C1c2ccccc2C(=O)N1OC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C18H13NO4/c20-15-13-8-4-5-9-14(13)16(21)19(15)23-17(22)18(10-11-18)12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKeyWYAGOMKRJQNFHA-UHFFFAOYSA-N
XLogP2.47
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1,3-dioxoisoindol-2-yl) 1-phenylcyclopropane-1-carboxylate?
The IUPAC name of (1,3-dioxoisoindol-2-yl) 1-phenylcyclopropane-1-carboxylate (CID 146479586) is (1,3-dioxoisoindol-2-yl) 1-phenylcyclopropane-1-carboxylate.
What is the SMILES notation for (1,3-dioxoisoindol-2-yl) 1-phenylcyclopropane-1-carboxylate?
The canonical SMILES for (1,3-dioxoisoindol-2-yl) 1-phenylcyclopropane-1-carboxylate is O=C1c2ccccc2C(=O)N1OC(=O)C1(c2ccccc2)CC1.
What is the InChIKey of (1,3-dioxoisoindol-2-yl) 1-phenylcyclopropane-1-carboxylate?
The InChIKey is WYAGOMKRJQNFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO4/c20-15-13-8-4-5-9-14(13)16(21)19(15)23-17(22)18(10-11-18)12-6-2-1-3-7-12/h1-9H,10-11H2.
What are the key properties of (1,3-dioxoisoindol-2-yl) 1-phenylcyclopropane-1-carboxylate?
(1,3-dioxoisoindol-2-yl) 1-phenylcyclopropane-1-carboxylate has a molecular weight of 307.31 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dioxoisoindol-2-yl) 1-phenylcyclopropane-1-carboxylate is sourced from PubChem (CID 146479586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).