[(1R,4Z,8S)-9-bicyclo[6.1.0]non-4-enyl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate

C15H19NO5 — CID 129049237

IUPAC[(1R,4Z,8S)-9-bicyclo[6.1.0]non-4-enyl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate
SMILESO=C(OCC1[C@H]2CC/C=C\CC[C@@H]12)ON1C(=O)CCC1=O
InChIInChI=1S/C15H19NO5/c17-13-7-8-14(18)16(13)21-15(19)20-9-12-10-5-3-1-2-4-6-11(10)12/h1-2,10-12H,3-9H2/b2-1-/t10-,11+,12?
InChIKeyMVZLMHMWYVDJRZ-RFCVITDFSA-N
MW293.32 g/mol
LogP2.20
Rot. Bonds3

About [(1R,4Z,8S)-9-bicyclo[6.1.0]non-4-enyl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate

[(1R,4Z,8S)-9-bicyclo[6.1.0]non-4-enyl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate (PubChem CID 129049237) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is [(1R,4Z,8S)-9-bicyclo[6.1.0]non-4-enyl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate.

Molecular Properties

Compound Name[(1R,4Z,8S)-9-bicyclo[6.1.0]non-4-enyl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate
PubChem CID129049237
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name[(1R,4Z,8S)-9-bicyclo[6.1.0]non-4-enyl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate
SMILESO=C(OCC1[C@H]2CC/C=C\CC[C@@H]12)ON1C(=O)CCC1=O
InChIInChI=1S/C15H19NO5/c17-13-7-8-14(18)16(13)21-15(19)20-9-12-10-5-3-1-2-4-6-11(10)12/h1-2,10-12H,3-9H2/b2-1-/t10-,11+,12?
InChIKeyMVZLMHMWYVDJRZ-RFCVITDFSA-N
XLogP2.20
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.20
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 [(1R,4Z,8S)-9-bicyclo[6.1.0]non-4-enyl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate?
The IUPAC name of [(1R,4Z,8S)-9-bicyclo[6.1.0]non-4-enyl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate (CID 129049237) is [(1R,4Z,8S)-9-bicyclo[6.1.0]non-4-enyl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate.
What is the SMILES notation for [(1R,4Z,8S)-9-bicyclo[6.1.0]non-4-enyl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate?
The canonical SMILES for [(1R,4Z,8S)-9-bicyclo[6.1.0]non-4-enyl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate is O=C(OCC1[C@H]2CC/C=C\CC[C@@H]12)ON1C(=O)CCC1=O.
What is the InChIKey of [(1R,4Z,8S)-9-bicyclo[6.1.0]non-4-enyl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate?
The InChIKey is MVZLMHMWYVDJRZ-RFCVITDFSA-N. The full InChI is InChI=1S/C15H19NO5/c17-13-7-8-14(18)16(13)21-15(19)20-9-12-10-5-3-1-2-4-6-11(10)12/h1-2,10-12H,3-9H2/b2-1-/t10-,11+,12?.
What are the key properties of [(1R,4Z,8S)-9-bicyclo[6.1.0]non-4-enyl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate?
[(1R,4Z,8S)-9-bicyclo[6.1.0]non-4-enyl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate has a molecular weight of 293.32 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4Z,8S)-9-bicyclo[6.1.0]non-4-enyl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate is sourced from PubChem (CID 129049237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).