ethenyl N-(3-methoxypropyl)carbamate

C7H13NO3 — CID 156869207

IUPACethenyl N-(3-methoxypropyl)carbamate
SMILESC=COC(=O)NCCCOC
InChIInChI=1S/C7H13NO3/c1-3-11-7(9)8-5-4-6-10-2/h3H,1,4-6H2,2H3,(H,8,9)
InChIKeyXIYQFWUOBZJIIV-UHFFFAOYSA-N
MW159.19 g/mol
LogP0.89
Rot. Bonds5

About ethenyl N-(3-methoxypropyl)carbamate

ethenyl N-(3-methoxypropyl)carbamate (PubChem CID 156869207) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is ethenyl N-(3-methoxypropyl)carbamate.

Molecular Properties

Compound Nameethenyl N-(3-methoxypropyl)carbamate
PubChem CID156869207
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Nameethenyl N-(3-methoxypropyl)carbamate
SMILESC=COC(=O)NCCCOC
InChIInChI=1S/C7H13NO3/c1-3-11-7(9)8-5-4-6-10-2/h3H,1,4-6H2,2H3,(H,8,9)
InChIKeyXIYQFWUOBZJIIV-UHFFFAOYSA-N
XLogP0.89
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenyl N-(3-methoxypropyl)carbamate?
The IUPAC name of ethenyl N-(3-methoxypropyl)carbamate (CID 156869207) is ethenyl N-(3-methoxypropyl)carbamate.
What is the SMILES notation for ethenyl N-(3-methoxypropyl)carbamate?
The canonical SMILES for ethenyl N-(3-methoxypropyl)carbamate is C=COC(=O)NCCCOC.
What is the InChIKey of ethenyl N-(3-methoxypropyl)carbamate?
The InChIKey is XIYQFWUOBZJIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-3-11-7(9)8-5-4-6-10-2/h3H,1,4-6H2,2H3,(H,8,9).
What are the key properties of ethenyl N-(3-methoxypropyl)carbamate?
ethenyl N-(3-methoxypropyl)carbamate has a molecular weight of 159.19 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl N-(3-methoxypropyl)carbamate is sourced from PubChem (CID 156869207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).