tert-butyl N-[(4R,5R)-5-hydroxyhept-1-en-4-yl]-N-prop-2-enylcarbamate

C15H27NO3 — CID 45101555

IUPACtert-butyl N-[(4R,5R)-5-hydroxyhept-1-en-4-yl]-N-prop-2-enylcarbamate
SMILESC=CC[C@H]([C@H](O)CC)N(CC=C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO3/c1-7-10-12(13(17)9-3)16(11-8-2)14(18)19-15(4,5)6/h7-8,12-13,17H,1-2,9-11H2,3-6H3/t12-,13-/m1/s1
InChIKeyKXBWUVSYDHLTOF-CHWSQXEVSA-N
MW269.38 g/mol
LogP3.13
Rot. Bonds7

About tert-butyl N-[(4R,5R)-5-hydroxyhept-1-en-4-yl]-N-prop-2-enylcarbamate

tert-butyl N-[(4R,5R)-5-hydroxyhept-1-en-4-yl]-N-prop-2-enylcarbamate (PubChem CID 45101555) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is tert-butyl N-[(4R,5R)-5-hydroxyhept-1-en-4-yl]-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(4R,5R)-5-hydroxyhept-1-en-4-yl]-N-prop-2-enylcarbamate
PubChem CID45101555
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Nametert-butyl N-[(4R,5R)-5-hydroxyhept-1-en-4-yl]-N-prop-2-enylcarbamate
SMILESC=CC[C@H]([C@H](O)CC)N(CC=C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO3/c1-7-10-12(13(17)9-3)16(11-8-2)14(18)19-15(4,5)6/h7-8,12-13,17H,1-2,9-11H2,3-6H3/t12-,13-/m1/s1
InChIKeyKXBWUVSYDHLTOF-CHWSQXEVSA-N
XLogP3.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.13
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 2-(3-fluoroprop-2-enyl)-3-hydroxyazetidine-1-carboxylate
CID 162786276
tert-butyl (2R)-2-[(1R)-1-hydroxyprop-2-enyl]pyrrolidine-1-carboxylate
CID 15939100
tert-butyl N-[(2R,3R)-1,2-dihydroxy-5-methylhex-5-en-3-yl]-N-prop-2-enylcarbamate
CID 23628356
tert-butyl N-[(2R)-1-hydroxy-4-methylpent-4-en-2-yl]-N-prop-2-enylcarbamate
CID 23628358
tert-butyl (2R)-2-(hydroxymethyl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 23628359
tert-butyl N-[(2S,3R)-3-hydroxypent-4-en-2-yl]-N-prop-2-enylcarbamate
CID 24854142
tert-butyl (2S,3R)-3-hydroxy-2-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 24854144
tert-butyl N-[(4S,5S)-5-hydroxyhept-1-en-4-yl]carbamate
CID 25137290
[(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]hept-6-en-3-yl] acetate
CID 25137291
tert-butyl N-[(2S,3R)-1,2-dihydroxyhex-5-en-3-yl]-N-prop-2-enylcarbamate
CID 45101552
tert-butyl (2R)-2-[(1R)-1-hydroxypropyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 45101556
tert-butyl N-[(2R,3R)-1,2-dihydroxyhex-5-en-3-yl]-N-prop-2-enylcarbamate
CID 56958275

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4R,5R)-5-hydroxyhept-1-en-4-yl]-N-prop-2-enylcarbamate?
The IUPAC name of tert-butyl N-[(4R,5R)-5-hydroxyhept-1-en-4-yl]-N-prop-2-enylcarbamate (CID 45101555) is tert-butyl N-[(4R,5R)-5-hydroxyhept-1-en-4-yl]-N-prop-2-enylcarbamate.
What is the SMILES notation for tert-butyl N-[(4R,5R)-5-hydroxyhept-1-en-4-yl]-N-prop-2-enylcarbamate?
The canonical SMILES for tert-butyl N-[(4R,5R)-5-hydroxyhept-1-en-4-yl]-N-prop-2-enylcarbamate is C=CC[C@H]([C@H](O)CC)N(CC=C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(4R,5R)-5-hydroxyhept-1-en-4-yl]-N-prop-2-enylcarbamate?
The InChIKey is KXBWUVSYDHLTOF-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H27NO3/c1-7-10-12(13(17)9-3)16(11-8-2)14(18)19-15(4,5)6/h7-8,12-13,17H,1-2,9-11H2,3-6H3/t12-,13-/m1/s1.
What are the key properties of tert-butyl N-[(4R,5R)-5-hydroxyhept-1-en-4-yl]-N-prop-2-enylcarbamate?
tert-butyl N-[(4R,5R)-5-hydroxyhept-1-en-4-yl]-N-prop-2-enylcarbamate has a molecular weight of 269.38 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4R,5R)-5-hydroxyhept-1-en-4-yl]-N-prop-2-enylcarbamate is sourced from PubChem (CID 45101555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).