[3-(carbamoyloxymethyl)-2-methylidenebut-3-enyl] N-propan-2-ylcarbamate

C11H18N2O4 — CID 58805100

IUPAC[3-(carbamoyloxymethyl)-2-methylidenebut-3-enyl] N-propan-2-ylcarbamate
SMILESC=C(COC(N)=O)C(=C)COC(=O)NC(C)C
InChIInChI=1S/C11H18N2O4/c1-7(2)13-11(15)17-6-9(4)8(3)5-16-10(12)14/h7H,3-6H2,1-2H3,(H2,12,14)(H,13,15)
InChIKeyRFIIQLHKNJRBKP-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.33
Rot. Bonds6

About [3-(carbamoyloxymethyl)-2-methylidenebut-3-enyl] N-propan-2-ylcarbamate

[3-(carbamoyloxymethyl)-2-methylidenebut-3-enyl] N-propan-2-ylcarbamate (PubChem CID 58805100) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is [3-(carbamoyloxymethyl)-2-methylidenebut-3-enyl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[3-(carbamoyloxymethyl)-2-methylidenebut-3-enyl] N-propan-2-ylcarbamate
PubChem CID58805100
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name[3-(carbamoyloxymethyl)-2-methylidenebut-3-enyl] N-propan-2-ylcarbamate
SMILESC=C(COC(N)=O)C(=C)COC(=O)NC(C)C
InChIInChI=1S/C11H18N2O4/c1-7(2)13-11(15)17-6-9(4)8(3)5-16-10(12)14/h7H,3-6H2,1-2H3,(H2,12,14)(H,13,15)
InChIKeyRFIIQLHKNJRBKP-UHFFFAOYSA-N
XLogP1.33
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(carbamoyloxymethyl)-2-methylidenebut-3-enyl] N-propan-2-ylcarbamate?
The IUPAC name of [3-(carbamoyloxymethyl)-2-methylidenebut-3-enyl] N-propan-2-ylcarbamate (CID 58805100) is [3-(carbamoyloxymethyl)-2-methylidenebut-3-enyl] N-propan-2-ylcarbamate.
What is the SMILES notation for [3-(carbamoyloxymethyl)-2-methylidenebut-3-enyl] N-propan-2-ylcarbamate?
The canonical SMILES for [3-(carbamoyloxymethyl)-2-methylidenebut-3-enyl] N-propan-2-ylcarbamate is C=C(COC(N)=O)C(=C)COC(=O)NC(C)C.
What is the InChIKey of [3-(carbamoyloxymethyl)-2-methylidenebut-3-enyl] N-propan-2-ylcarbamate?
The InChIKey is RFIIQLHKNJRBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-7(2)13-11(15)17-6-9(4)8(3)5-16-10(12)14/h7H,3-6H2,1-2H3,(H2,12,14)(H,13,15).
What are the key properties of [3-(carbamoyloxymethyl)-2-methylidenebut-3-enyl] N-propan-2-ylcarbamate?
[3-(carbamoyloxymethyl)-2-methylidenebut-3-enyl] N-propan-2-ylcarbamate has a molecular weight of 242.27 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(carbamoyloxymethyl)-2-methylidenebut-3-enyl] N-propan-2-ylcarbamate is sourced from PubChem (CID 58805100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).