[(2E)-4-carbamoyloxy-7-hydroxycyclooct-2-en-1-yl] N-methylcarbamate

C11H18N2O5 — CID 90183022

IUPAC[(2E)-4-carbamoyloxy-7-hydroxycyclooct-2-en-1-yl] N-methylcarbamate
SMILESCNC(=O)OC1/C=C\C(OC(N)=O)CCC(O)C1
InChIInChI=1S/C11H18N2O5/c1-13-11(16)18-9-5-4-8(17-10(12)15)3-2-7(14)6-9/h4-5,7-9,14H,2-3,6H2,1H3,(H2,12,15)(H,13,16)/b5-4-
InChIKeySEUJKVMMMIAWQP-PLNGDYQASA-N
MW258.27 g/mol
LogP0.28
Rot. Bonds2

About [(2E)-4-carbamoyloxy-7-hydroxycyclooct-2-en-1-yl] N-methylcarbamate

[(2E)-4-carbamoyloxy-7-hydroxycyclooct-2-en-1-yl] N-methylcarbamate (PubChem CID 90183022) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is [(2E)-4-carbamoyloxy-7-hydroxycyclooct-2-en-1-yl] N-methylcarbamate.

Molecular Properties

Compound Name[(2E)-4-carbamoyloxy-7-hydroxycyclooct-2-en-1-yl] N-methylcarbamate
PubChem CID90183022
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name[(2E)-4-carbamoyloxy-7-hydroxycyclooct-2-en-1-yl] N-methylcarbamate
SMILESCNC(=O)OC1/C=C\C(OC(N)=O)CCC(O)C1
InChIInChI=1S/C11H18N2O5/c1-13-11(16)18-9-5-4-8(17-10(12)15)3-2-7(14)6-9/h4-5,7-9,14H,2-3,6H2,1H3,(H2,12,15)(H,13,16)/b5-4-
InChIKeySEUJKVMMMIAWQP-PLNGDYQASA-N
XLogP0.28
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2E)-4-carbamoyloxy-7-hydroxycyclooct-2-en-1-yl] N-methylcarbamate?
The IUPAC name of [(2E)-4-carbamoyloxy-7-hydroxycyclooct-2-en-1-yl] N-methylcarbamate (CID 90183022) is [(2E)-4-carbamoyloxy-7-hydroxycyclooct-2-en-1-yl] N-methylcarbamate.
What is the SMILES notation for [(2E)-4-carbamoyloxy-7-hydroxycyclooct-2-en-1-yl] N-methylcarbamate?
The canonical SMILES for [(2E)-4-carbamoyloxy-7-hydroxycyclooct-2-en-1-yl] N-methylcarbamate is CNC(=O)OC1/C=C\C(OC(N)=O)CCC(O)C1.
What is the InChIKey of [(2E)-4-carbamoyloxy-7-hydroxycyclooct-2-en-1-yl] N-methylcarbamate?
The InChIKey is SEUJKVMMMIAWQP-PLNGDYQASA-N. The full InChI is InChI=1S/C11H18N2O5/c1-13-11(16)18-9-5-4-8(17-10(12)15)3-2-7(14)6-9/h4-5,7-9,14H,2-3,6H2,1H3,(H2,12,15)(H,13,16)/b5-4-.
What are the key properties of [(2E)-4-carbamoyloxy-7-hydroxycyclooct-2-en-1-yl] N-methylcarbamate?
[(2E)-4-carbamoyloxy-7-hydroxycyclooct-2-en-1-yl] N-methylcarbamate has a molecular weight of 258.27 g/mol, XLogP of 0.28, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-4-carbamoyloxy-7-hydroxycyclooct-2-en-1-yl] N-methylcarbamate is sourced from PubChem (CID 90183022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).