tert-butyl N-(3-hydroxypropyl)-N-prop-2-enylcarbamate

C11H21NO3 — CID 86195236

IUPACtert-butyl N-(3-hydroxypropyl)-N-prop-2-enylcarbamate
SMILESC=CCN(CCCO)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-5-7-12(8-6-9-13)10(14)15-11(2,3)4/h5,13H,1,6-9H2,2-4H3
InChIKeyMXTVBAOOMOMSTO-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.79
Rot. Bonds5

About tert-butyl N-(3-hydroxypropyl)-N-prop-2-enylcarbamate

tert-butyl N-(3-hydroxypropyl)-N-prop-2-enylcarbamate (PubChem CID 86195236) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl N-(3-hydroxypropyl)-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(3-hydroxypropyl)-N-prop-2-enylcarbamate
PubChem CID86195236
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl N-(3-hydroxypropyl)-N-prop-2-enylcarbamate
SMILESC=CCN(CCCO)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-5-7-12(8-6-9-13)10(14)15-11(2,3)4/h5,13H,1,6-9H2,2-4H3
InChIKeyMXTVBAOOMOMSTO-UHFFFAOYSA-N
XLogP1.79
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-N-[(E)-4-[(2-methylpropan-2-yl)oxycarbonyl-[3-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]propyl]amino]but-2-enyl]carbamate
CID 19956406
tert-butyl N-but-3-enyl-N-prop-2-enylcarbamate;ethene;methanamine
CID 142306508
tert-butyl N-(4-hydroxybutyl)-N-[8-[4-hydroxybutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]octyl]carbamate
CID 18920510
ethyl 3-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]propanoate
CID 11265362
tert-butyl N-ethyl-N-(4-hydroxybutyl)carbamate
CID 87693866
tert-butyl N-hydroxy-N-(3-hydroxypropyl)carbamate
CID 86028321
tert-butyl N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-prop-2-enylcarbamate
CID 118798912
tert-butyl N-[(3S)-3-aminobutyl]-N-(3-hydroxypropyl)carbamate
CID 58080924
tert-butyl N-[2-(chloromethyl)prop-2-enyl]-N-prop-2-enylcarbamate
CID 102520805
ethyl 2-[3-hydroxypropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 86655973
tert-butyl N-(2-hydroxyethyl)-N-[2-[2-hydroxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate
CID 554102
tert-butyl N-benzyl-N-(3-hydroxypropyl)carbamate
CID 10015720

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-hydroxypropyl)-N-prop-2-enylcarbamate?
The IUPAC name of tert-butyl N-(3-hydroxypropyl)-N-prop-2-enylcarbamate (CID 86195236) is tert-butyl N-(3-hydroxypropyl)-N-prop-2-enylcarbamate.
What is the SMILES notation for tert-butyl N-(3-hydroxypropyl)-N-prop-2-enylcarbamate?
The canonical SMILES for tert-butyl N-(3-hydroxypropyl)-N-prop-2-enylcarbamate is C=CCN(CCCO)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(3-hydroxypropyl)-N-prop-2-enylcarbamate?
The InChIKey is MXTVBAOOMOMSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-5-7-12(8-6-9-13)10(14)15-11(2,3)4/h5,13H,1,6-9H2,2-4H3.
What are the key properties of tert-butyl N-(3-hydroxypropyl)-N-prop-2-enylcarbamate?
tert-butyl N-(3-hydroxypropyl)-N-prop-2-enylcarbamate has a molecular weight of 215.29 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-hydroxypropyl)-N-prop-2-enylcarbamate is sourced from PubChem (CID 86195236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).