benzyl [(E)-3-morpholin-4-ylprop-2-enyl] carbonate

C15H19NO4 — CID 175972367

IUPACbenzyl [(E)-3-morpholin-4-ylprop-2-enyl] carbonate
SMILESO=C(OC/C=C/N1CCOCC1)OCc1ccccc1
InChIInChI=1S/C15H19NO4/c17-15(20-13-14-5-2-1-3-6-14)19-10-4-7-16-8-11-18-12-9-16/h1-7H,8-13H2/b7-4+
InChIKeyVSIKJGDGVBYGLS-QPJJXVBHSA-N
MW277.32 g/mol
LogP2.19
Rot. Bonds5

About benzyl [(E)-3-morpholin-4-ylprop-2-enyl] carbonate

benzyl [(E)-3-morpholin-4-ylprop-2-enyl] carbonate (PubChem CID 175972367) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is benzyl [(E)-3-morpholin-4-ylprop-2-enyl] carbonate.

Molecular Properties

Compound Namebenzyl [(E)-3-morpholin-4-ylprop-2-enyl] carbonate
PubChem CID175972367
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namebenzyl [(E)-3-morpholin-4-ylprop-2-enyl] carbonate
SMILESO=C(OC/C=C/N1CCOCC1)OCc1ccccc1
InChIInChI=1S/C15H19NO4/c17-15(20-13-14-5-2-1-3-6-14)19-10-4-7-16-8-11-18-12-9-16/h1-7H,8-13H2/b7-4+
InChIKeyVSIKJGDGVBYGLS-QPJJXVBHSA-N
XLogP2.19
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-morpholin-4-ylcarbamate
CID 54530052
benzyl prop-2-enyl carbonate;bis(prop-2-enyl hydrogen carbonate)
CID 174794359
(2R)-1-morpholin-4-yl-2-phenylmethoxypropan-1-one
CID 165346158
benzyl 2-methyl-3-(morpholin-4-ylamino)propanoate
CID 106484119
3-morpholin-4-yl-4-oxo-4-phenylmethoxybutanoic acid
CID 2943012
benzyl (2R,4S)-2,4-dimethyl-5-oxo-5-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)pentanoate
CID 92846824
benzyl phenylmethoxycarbonyl carbonate
CID 3649378
benzyl N-[(2S)-1-oxo-1-[16-[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propan-2-yl]carbamate
CID 13291357
benzyl 2-(1,7,13-trioxa-4,10,16-triazacyclooctadec-4-yl)acetate
CID 177188457
benzyl (3R)-3-(aminomethyl)morpholine-4-carboxylate
CID 91666877
benzyl phenylmethoxycarbonyloxy carbonate;carbonic acid
CID 160645724
benzyl oxiran-2-ylmethyl carbonate
CID 88672245

Frequently Asked Questions

What is the IUPAC name of benzyl [(E)-3-morpholin-4-ylprop-2-enyl] carbonate?
The IUPAC name of benzyl [(E)-3-morpholin-4-ylprop-2-enyl] carbonate (CID 175972367) is benzyl [(E)-3-morpholin-4-ylprop-2-enyl] carbonate.
What is the SMILES notation for benzyl [(E)-3-morpholin-4-ylprop-2-enyl] carbonate?
The canonical SMILES for benzyl [(E)-3-morpholin-4-ylprop-2-enyl] carbonate is O=C(OC/C=C/N1CCOCC1)OCc1ccccc1.
What is the InChIKey of benzyl [(E)-3-morpholin-4-ylprop-2-enyl] carbonate?
The InChIKey is VSIKJGDGVBYGLS-QPJJXVBHSA-N. The full InChI is InChI=1S/C15H19NO4/c17-15(20-13-14-5-2-1-3-6-14)19-10-4-7-16-8-11-18-12-9-16/h1-7H,8-13H2/b7-4+.
What are the key properties of benzyl [(E)-3-morpholin-4-ylprop-2-enyl] carbonate?
benzyl [(E)-3-morpholin-4-ylprop-2-enyl] carbonate has a molecular weight of 277.32 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl [(E)-3-morpholin-4-ylprop-2-enyl] carbonate is sourced from PubChem (CID 175972367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).