[2-(carbamoyloxymethyl)-2-methylpent-3-enyl] carbamate

C9H16N2O4 — CID 131851796

IUPAC[2-(carbamoyloxymethyl)-2-methylpent-3-enyl] carbamate
SMILESCC=CC(C)(COC(N)=O)COC(N)=O
InChIInChI=1S/C9H16N2O4/c1-3-4-9(2,5-14-7(10)12)6-15-8(11)13/h3-4H,5-6H2,1-2H3,(H2,10,12)(H2,11,13)
InChIKeyDKKYQYFLQUZODL-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.76
Rot. Bonds5

About [2-(carbamoyloxymethyl)-2-methylpent-3-enyl] carbamate

[2-(carbamoyloxymethyl)-2-methylpent-3-enyl] carbamate (PubChem CID 131851796) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is [2-(carbamoyloxymethyl)-2-methylpent-3-enyl] carbamate.

Molecular Properties

Compound Name[2-(carbamoyloxymethyl)-2-methylpent-3-enyl] carbamate
PubChem CID131851796
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name[2-(carbamoyloxymethyl)-2-methylpent-3-enyl] carbamate
SMILESCC=CC(C)(COC(N)=O)COC(N)=O
InChIInChI=1S/C9H16N2O4/c1-3-4-9(2,5-14-7(10)12)6-15-8(11)13/h3-4H,5-6H2,1-2H3,(H2,10,12)(H2,11,13)
InChIKeyDKKYQYFLQUZODL-UHFFFAOYSA-N
XLogP0.76
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 [2-(carbamoyloxymethyl)-2-methylpent-3-enyl] carbamate?
The IUPAC name of [2-(carbamoyloxymethyl)-2-methylpent-3-enyl] carbamate (CID 131851796) is [2-(carbamoyloxymethyl)-2-methylpent-3-enyl] carbamate.
What is the SMILES notation for [2-(carbamoyloxymethyl)-2-methylpent-3-enyl] carbamate?
The canonical SMILES for [2-(carbamoyloxymethyl)-2-methylpent-3-enyl] carbamate is CC=CC(C)(COC(N)=O)COC(N)=O.
What is the InChIKey of [2-(carbamoyloxymethyl)-2-methylpent-3-enyl] carbamate?
The InChIKey is DKKYQYFLQUZODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-3-4-9(2,5-14-7(10)12)6-15-8(11)13/h3-4H,5-6H2,1-2H3,(H2,10,12)(H2,11,13).
What are the key properties of [2-(carbamoyloxymethyl)-2-methylpent-3-enyl] carbamate?
[2-(carbamoyloxymethyl)-2-methylpent-3-enyl] carbamate has a molecular weight of 216.24 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(carbamoyloxymethyl)-2-methylpent-3-enyl] carbamate is sourced from PubChem (CID 131851796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).