2-methylidenebut-3-enyl N-methylcarbamate

C7H11NO2 — CID 58805082

IUPAC2-methylidenebut-3-enyl N-methylcarbamate
SMILESC=CC(=C)COC(=O)NC
InChIInChI=1S/C7H11NO2/c1-4-6(2)5-10-7(9)8-3/h4H,1-2,5H2,3H3,(H,8,9)
InChIKeyXZIMZDRORVMYMZ-UHFFFAOYSA-N
MW141.17 g/mol
LogP1.08
Rot. Bonds3

About 2-methylidenebut-3-enyl N-methylcarbamate

2-methylidenebut-3-enyl N-methylcarbamate (PubChem CID 58805082) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-methylidenebut-3-enyl N-methylcarbamate.

Molecular Properties

Compound Name2-methylidenebut-3-enyl N-methylcarbamate
PubChem CID58805082
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name2-methylidenebut-3-enyl N-methylcarbamate
SMILESC=CC(=C)COC(=O)NC
InChIInChI=1S/C7H11NO2/c1-4-6(2)5-10-7(9)8-3/h4H,1-2,5H2,3H3,(H,8,9)
InChIKeyXZIMZDRORVMYMZ-UHFFFAOYSA-N
XLogP1.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylidenebut-3-enyl N-methylcarbamate?
The IUPAC name of 2-methylidenebut-3-enyl N-methylcarbamate (CID 58805082) is 2-methylidenebut-3-enyl N-methylcarbamate.
What is the SMILES notation for 2-methylidenebut-3-enyl N-methylcarbamate?
The canonical SMILES for 2-methylidenebut-3-enyl N-methylcarbamate is C=CC(=C)COC(=O)NC.
What is the InChIKey of 2-methylidenebut-3-enyl N-methylcarbamate?
The InChIKey is XZIMZDRORVMYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-4-6(2)5-10-7(9)8-3/h4H,1-2,5H2,3H3,(H,8,9).
What are the key properties of 2-methylidenebut-3-enyl N-methylcarbamate?
2-methylidenebut-3-enyl N-methylcarbamate has a molecular weight of 141.17 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidenebut-3-enyl N-methylcarbamate is sourced from PubChem (CID 58805082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).