(4Z)-bicyclo[6.1.0]non-4-ene;(2,5-dioxopyrrolidin-1-yl) methyl carbonate

C15H21NO5 — CID 162737097

IUPAC(4Z)-bicyclo[6.1.0]non-4-ene;(2,5-dioxopyrrolidin-1-yl) methyl carbonate
SMILESC1=C\CCC2CC2CC/1.COC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C9H14.C6H7NO5/c1-2-4-6-9-7-8(9)5-3-1;1-11-6(10)12-7-4(8)2-3-5(7)9/h1-2,8-9H,3-7H2;2-3H2,1H3/b2-1-;
InChIKeyOLDVCALNENCWBL-ODZAUARKSA-N
MW295.33 g/mol
LogP2.59
Rot. Bonds1

About (4Z)-bicyclo[6.1.0]non-4-ene;(2,5-dioxopyrrolidin-1-yl) methyl carbonate

(4Z)-bicyclo[6.1.0]non-4-ene;(2,5-dioxopyrrolidin-1-yl) methyl carbonate (PubChem CID 162737097) has the molecular formula C15H21NO5 and a molecular weight of 295.33 g/mol. Its IUPAC name is (4Z)-bicyclo[6.1.0]non-4-ene;(2,5-dioxopyrrolidin-1-yl) methyl carbonate.

Molecular Properties

Compound Name(4Z)-bicyclo[6.1.0]non-4-ene;(2,5-dioxopyrrolidin-1-yl) methyl carbonate
PubChem CID162737097
Molecular FormulaC15H21NO5
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Name(4Z)-bicyclo[6.1.0]non-4-ene;(2,5-dioxopyrrolidin-1-yl) methyl carbonate
SMILESC1=C\CCC2CC2CC/1.COC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C9H14.C6H7NO5/c1-2-4-6-9-7-8(9)5-3-1;1-11-6(10)12-7-4(8)2-3-5(7)9/h1-2,8-9H,3-7H2;2-3H2,1H3/b2-1-;
InChIKeyOLDVCALNENCWBL-ODZAUARKSA-N
XLogP2.59
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-bicyclo[6.1.0]non-4-ene;(2,5-dioxopyrrolidin-1-yl) methyl carbonate?
The IUPAC name of (4Z)-bicyclo[6.1.0]non-4-ene;(2,5-dioxopyrrolidin-1-yl) methyl carbonate (CID 162737097) is (4Z)-bicyclo[6.1.0]non-4-ene;(2,5-dioxopyrrolidin-1-yl) methyl carbonate.
What is the SMILES notation for (4Z)-bicyclo[6.1.0]non-4-ene;(2,5-dioxopyrrolidin-1-yl) methyl carbonate?
The canonical SMILES for (4Z)-bicyclo[6.1.0]non-4-ene;(2,5-dioxopyrrolidin-1-yl) methyl carbonate is C1=C\CCC2CC2CC/1.COC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (4Z)-bicyclo[6.1.0]non-4-ene;(2,5-dioxopyrrolidin-1-yl) methyl carbonate?
The InChIKey is OLDVCALNENCWBL-ODZAUARKSA-N. The full InChI is InChI=1S/C9H14.C6H7NO5/c1-2-4-6-9-7-8(9)5-3-1;1-11-6(10)12-7-4(8)2-3-5(7)9/h1-2,8-9H,3-7H2;2-3H2,1H3/b2-1-;.
What are the key properties of (4Z)-bicyclo[6.1.0]non-4-ene;(2,5-dioxopyrrolidin-1-yl) methyl carbonate?
(4Z)-bicyclo[6.1.0]non-4-ene;(2,5-dioxopyrrolidin-1-yl) methyl carbonate has a molecular weight of 295.33 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-bicyclo[6.1.0]non-4-ene;(2,5-dioxopyrrolidin-1-yl) methyl carbonate is sourced from PubChem (CID 162737097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).