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

C8H12N2O4 — CID 10236075

IUPAC[3-(carbamoyloxymethyl)-2-methylidenebut-3-enyl] carbamate
SMILESC=C(COC(N)=O)C(=C)COC(N)=O
InChIInChI=1S/C8H12N2O4/c1-5(3-13-7(9)11)6(2)4-14-8(10)12/h1-4H2,(H2,9,11)(H2,10,12)
InChIKeyYHVYFLNFIUEYKB-UHFFFAOYSA-N
MW200.19 g/mol
LogP0.29
Rot. Bonds5

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

[3-(carbamoyloxymethyl)-2-methylidenebut-3-enyl] carbamate (PubChem CID 10236075) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is [3-(carbamoyloxymethyl)-2-methylidenebut-3-enyl] carbamate.

Molecular Properties

Compound Name[3-(carbamoyloxymethyl)-2-methylidenebut-3-enyl] carbamate
PubChem CID10236075
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name[3-(carbamoyloxymethyl)-2-methylidenebut-3-enyl] carbamate
SMILESC=C(COC(N)=O)C(=C)COC(N)=O
InChIInChI=1S/C8H12N2O4/c1-5(3-13-7(9)11)6(2)4-14-8(10)12/h1-4H2,(H2,9,11)(H2,10,12)
InChIKeyYHVYFLNFIUEYKB-UHFFFAOYSA-N
XLogP0.29
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 50.29
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] carbamate?
The IUPAC name of [3-(carbamoyloxymethyl)-2-methylidenebut-3-enyl] carbamate (CID 10236075) is [3-(carbamoyloxymethyl)-2-methylidenebut-3-enyl] carbamate.
What is the SMILES notation for [3-(carbamoyloxymethyl)-2-methylidenebut-3-enyl] carbamate?
The canonical SMILES for [3-(carbamoyloxymethyl)-2-methylidenebut-3-enyl] carbamate is C=C(COC(N)=O)C(=C)COC(N)=O.
What is the InChIKey of [3-(carbamoyloxymethyl)-2-methylidenebut-3-enyl] carbamate?
The InChIKey is YHVYFLNFIUEYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4/c1-5(3-13-7(9)11)6(2)4-14-8(10)12/h1-4H2,(H2,9,11)(H2,10,12).
What are the key properties of [3-(carbamoyloxymethyl)-2-methylidenebut-3-enyl] carbamate?
[3-(carbamoyloxymethyl)-2-methylidenebut-3-enyl] carbamate has a molecular weight of 200.19 g/mol, XLogP of 0.29, 5 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] carbamate is sourced from PubChem (CID 10236075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).