prop-2-enyl N-[2-[(2-methylpropan-2-yl)oxy]ethyl]carbamate

C10H19NO3 — CID 139253353

IUPACprop-2-enyl N-[2-[(2-methylpropan-2-yl)oxy]ethyl]carbamate
SMILESC=CCOC(=O)NCCOC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-5-7-13-9(12)11-6-8-14-10(2,3)4/h5H,1,6-8H2,2-4H3,(H,11,12)
InChIKeyBQIWQEQDPWWXCE-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.71
Rot. Bonds5

About prop-2-enyl N-[2-[(2-methylpropan-2-yl)oxy]ethyl]carbamate

prop-2-enyl N-[2-[(2-methylpropan-2-yl)oxy]ethyl]carbamate (PubChem CID 139253353) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is prop-2-enyl N-[2-[(2-methylpropan-2-yl)oxy]ethyl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[2-[(2-methylpropan-2-yl)oxy]ethyl]carbamate
PubChem CID139253353
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameprop-2-enyl N-[2-[(2-methylpropan-2-yl)oxy]ethyl]carbamate
SMILESC=CCOC(=O)NCCOC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-5-7-13-9(12)11-6-8-14-10(2,3)4/h5H,1,6-8H2,2-4H3,(H,11,12)
InChIKeyBQIWQEQDPWWXCE-UHFFFAOYSA-N
XLogP1.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[2-[(2-methylpropan-2-yl)oxy]ethyl]carbamate?
The IUPAC name of prop-2-enyl N-[2-[(2-methylpropan-2-yl)oxy]ethyl]carbamate (CID 139253353) is prop-2-enyl N-[2-[(2-methylpropan-2-yl)oxy]ethyl]carbamate.
What is the SMILES notation for prop-2-enyl N-[2-[(2-methylpropan-2-yl)oxy]ethyl]carbamate?
The canonical SMILES for prop-2-enyl N-[2-[(2-methylpropan-2-yl)oxy]ethyl]carbamate is C=CCOC(=O)NCCOC(C)(C)C.
What is the InChIKey of prop-2-enyl N-[2-[(2-methylpropan-2-yl)oxy]ethyl]carbamate?
The InChIKey is BQIWQEQDPWWXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-5-7-13-9(12)11-6-8-14-10(2,3)4/h5H,1,6-8H2,2-4H3,(H,11,12).
What are the key properties of prop-2-enyl N-[2-[(2-methylpropan-2-yl)oxy]ethyl]carbamate?
prop-2-enyl N-[2-[(2-methylpropan-2-yl)oxy]ethyl]carbamate has a molecular weight of 201.27 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[2-[(2-methylpropan-2-yl)oxy]ethyl]carbamate is sourced from PubChem (CID 139253353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).