[3-(carbamoyloxymethyl)-2-methylidenebut-3-enyl] N-methylcarbamate

C9H14N2O4 — CID 58805091

IUPAC[3-(carbamoyloxymethyl)-2-methylidenebut-3-enyl] N-methylcarbamate
SMILESC=C(COC(N)=O)C(=C)COC(=O)NC
InChIInChI=1S/C9H14N2O4/c1-6(4-14-8(10)12)7(2)5-15-9(13)11-3/h1-2,4-5H2,3H3,(H2,10,12)(H,11,13)
InChIKeyKOAUAFYUXUFDOU-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.55
Rot. Bonds5

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

[3-(carbamoyloxymethyl)-2-methylidenebut-3-enyl] N-methylcarbamate (PubChem CID 58805091) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is [3-(carbamoyloxymethyl)-2-methylidenebut-3-enyl] N-methylcarbamate.

Molecular Properties

Compound Name[3-(carbamoyloxymethyl)-2-methylidenebut-3-enyl] N-methylcarbamate
PubChem CID58805091
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name[3-(carbamoyloxymethyl)-2-methylidenebut-3-enyl] N-methylcarbamate
SMILESC=C(COC(N)=O)C(=C)COC(=O)NC
InChIInChI=1S/C9H14N2O4/c1-6(4-14-8(10)12)7(2)5-15-9(13)11-3/h1-2,4-5H2,3H3,(H2,10,12)(H,11,13)
InChIKeyKOAUAFYUXUFDOU-UHFFFAOYSA-N
XLogP0.55
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Methylenepropane-1,3-diyl bis(methylcarbamate)
CID 71488
[3-(Carbamoyloxymethyl)-2-methylidenebut-3-enyl] carbamate
CID 10236075
2-methylidenebut-3-enyl N-methylcarbamate
CID 58805082
[3-(carbamoyloxymethyl)-2-methylidenebut-3-enyl] N-propan-2-ylcarbamate
CID 58805100
[(Z)-4-carbamoyloxy-2-ethenylbut-2-enyl] N-methylcarbamate
CID 58805119
[(2Z)-3-(carbamoyloxymethyl)penta-2,4-dienyl] N-methylcarbamate
CID 58805124
[3-(hydroxymethyl)-2-methylidenebut-3-enyl] N-methylcarbamate
CID 58805128

Frequently Asked Questions

What is the IUPAC name of [3-(carbamoyloxymethyl)-2-methylidenebut-3-enyl] N-methylcarbamate?
The IUPAC name of [3-(carbamoyloxymethyl)-2-methylidenebut-3-enyl] N-methylcarbamate (CID 58805091) is [3-(carbamoyloxymethyl)-2-methylidenebut-3-enyl] N-methylcarbamate.
What is the SMILES notation for [3-(carbamoyloxymethyl)-2-methylidenebut-3-enyl] N-methylcarbamate?
The canonical SMILES for [3-(carbamoyloxymethyl)-2-methylidenebut-3-enyl] N-methylcarbamate is C=C(COC(N)=O)C(=C)COC(=O)NC.
What is the InChIKey of [3-(carbamoyloxymethyl)-2-methylidenebut-3-enyl] N-methylcarbamate?
The InChIKey is KOAUAFYUXUFDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-6(4-14-8(10)12)7(2)5-15-9(13)11-3/h1-2,4-5H2,3H3,(H2,10,12)(H,11,13).
What are the key properties of [3-(carbamoyloxymethyl)-2-methylidenebut-3-enyl] N-methylcarbamate?
[3-(carbamoyloxymethyl)-2-methylidenebut-3-enyl] N-methylcarbamate has a molecular weight of 214.22 g/mol, XLogP of 0.55, 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] N-methylcarbamate is sourced from PubChem (CID 58805091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).