tert-butyl N-(1-prop-2-enoxyethyl)carbamate

C10H19NO3 — CID 130015147

IUPACtert-butyl N-(1-prop-2-enoxyethyl)carbamate
SMILESC=CCOC(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-6-7-13-8(2)11-9(12)14-10(3,4)5/h6,8H,1,7H2,2-5H3,(H,11,12)
InChIKeyMRBJYLOMMIXLRJ-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.06
Rot. Bonds4

About tert-butyl N-(1-prop-2-enoxyethyl)carbamate

tert-butyl N-(1-prop-2-enoxyethyl)carbamate (PubChem CID 130015147) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is tert-butyl N-(1-prop-2-enoxyethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-prop-2-enoxyethyl)carbamate
PubChem CID130015147
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nametert-butyl N-(1-prop-2-enoxyethyl)carbamate
SMILESC=CCOC(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-6-7-13-8(2)11-9(12)14-10(3,4)5/h6,8H,1,7H2,2-5H3,(H,11,12)
InChIKeyMRBJYLOMMIXLRJ-UHFFFAOYSA-N
XLogP2.06
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-prop-2-enoxyethyl)carbamate?
The IUPAC name of tert-butyl N-(1-prop-2-enoxyethyl)carbamate (CID 130015147) is tert-butyl N-(1-prop-2-enoxyethyl)carbamate.
What is the SMILES notation for tert-butyl N-(1-prop-2-enoxyethyl)carbamate?
The canonical SMILES for tert-butyl N-(1-prop-2-enoxyethyl)carbamate is C=CCOC(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(1-prop-2-enoxyethyl)carbamate?
The InChIKey is MRBJYLOMMIXLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-6-7-13-8(2)11-9(12)14-10(3,4)5/h6,8H,1,7H2,2-5H3,(H,11,12).
What are the key properties of tert-butyl N-(1-prop-2-enoxyethyl)carbamate?
tert-butyl N-(1-prop-2-enoxyethyl)carbamate has a molecular weight of 201.27 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-prop-2-enoxyethyl)carbamate is sourced from PubChem (CID 130015147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).