1,1-dimethylcyclopropane;(2,5-dioxopyrrolidin-1-yl) formate

C10H15NO4 — CID 164604016

IUPAC1,1-dimethylcyclopropane;(2,5-dioxopyrrolidin-1-yl) formate
SMILESCC1(C)CC1.O=CON1C(=O)CCC1=O
InChIInChI=1S/C5H5NO4.C5H10/c7-3-10-6-4(8)1-2-5(6)9;1-5(2)3-4-5/h3H,1-2H2;3-4H2,1-2H3
InChIKeyNOXQTDAGPFOHKC-UHFFFAOYSA-N
MW213.23 g/mol
LogP1.03
Rot. Bonds2

About 1,1-dimethylcyclopropane;(2,5-dioxopyrrolidin-1-yl) formate

1,1-dimethylcyclopropane;(2,5-dioxopyrrolidin-1-yl) formate (PubChem CID 164604016) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 1,1-dimethylcyclopropane;(2,5-dioxopyrrolidin-1-yl) formate.

Molecular Properties

Compound Name1,1-dimethylcyclopropane;(2,5-dioxopyrrolidin-1-yl) formate
PubChem CID164604016
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name1,1-dimethylcyclopropane;(2,5-dioxopyrrolidin-1-yl) formate
SMILESCC1(C)CC1.O=CON1C(=O)CCC1=O
InChIInChI=1S/C5H5NO4.C5H10/c7-3-10-6-4(8)1-2-5(6)9;1-5(2)3-4-5/h3H,1-2H2;3-4H2,1-2H3
InChIKeyNOXQTDAGPFOHKC-UHFFFAOYSA-N
XLogP1.03
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethylcyclopropane;(2,5-dioxopyrrolidin-1-yl) formate?
The IUPAC name of 1,1-dimethylcyclopropane;(2,5-dioxopyrrolidin-1-yl) formate (CID 164604016) is 1,1-dimethylcyclopropane;(2,5-dioxopyrrolidin-1-yl) formate.
What is the SMILES notation for 1,1-dimethylcyclopropane;(2,5-dioxopyrrolidin-1-yl) formate?
The canonical SMILES for 1,1-dimethylcyclopropane;(2,5-dioxopyrrolidin-1-yl) formate is CC1(C)CC1.O=CON1C(=O)CCC1=O.
What is the InChIKey of 1,1-dimethylcyclopropane;(2,5-dioxopyrrolidin-1-yl) formate?
The InChIKey is NOXQTDAGPFOHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO4.C5H10/c7-3-10-6-4(8)1-2-5(6)9;1-5(2)3-4-5/h3H,1-2H2;3-4H2,1-2H3.
What are the key properties of 1,1-dimethylcyclopropane;(2,5-dioxopyrrolidin-1-yl) formate?
1,1-dimethylcyclopropane;(2,5-dioxopyrrolidin-1-yl) formate has a molecular weight of 213.23 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethylcyclopropane;(2,5-dioxopyrrolidin-1-yl) formate is sourced from PubChem (CID 164604016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).