tert-butyl N-hex-5-enoylcarbamate

C11H19NO3 — CID 101433045

IUPACtert-butyl N-hex-5-enoylcarbamate
SMILESC=CCCCC(=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO3/c1-5-6-7-8-9(13)12-10(14)15-11(2,3)4/h5H,1,6-8H2,2-4H3,(H,12,13,14)
InChIKeyKPKNYUMOVHPHCA-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.39
Rot. Bonds4

About tert-butyl N-hex-5-enoylcarbamate

tert-butyl N-hex-5-enoylcarbamate (PubChem CID 101433045) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is tert-butyl N-hex-5-enoylcarbamate.

Molecular Properties

Compound Nametert-butyl N-hex-5-enoylcarbamate
PubChem CID101433045
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nametert-butyl N-hex-5-enoylcarbamate
SMILESC=CCCCC(=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO3/c1-5-6-7-8-9(13)12-10(14)15-11(2,3)4/h5H,1,6-8H2,2-4H3,(H,12,13,14)
InChIKeyKPKNYUMOVHPHCA-UHFFFAOYSA-N
XLogP2.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.39
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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Related Compounds

N-tert-butylhex-5-enamide
CID 15640339
methyl (2E,6E)-6-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]undeca-2,10-dienoate
CID 15415638
tert-butyl N-[3-(tert-butylamino)propanoyl]carbamate
CID 87756402
tert-butyl N-(2-oxohex-5-enyl)carbamate
CID 178201050
tert-butyl N-(2-bromoacetyl)carbamate
CID 46224013
tert-butyl N-prop-2-enoylcarbamate
CID 14817908
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hept-6-enoate
CID 100999449
prop-2-enyl N-[12-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentylamino]-12-oxododecyl]carbamate
CID 11634440
tert-butyl N-propanoylcarbamate;molecular fluorine
CID 90778039
tert-butyl N-[carbonochloridoyl(hex-5-enyl)amino]carbamate
CID 59838984
tert-butyl 2-(pent-4-enylamino)acetate
CID 86171439
(2S)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
CID 11470624

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-hex-5-enoylcarbamate?
The IUPAC name of tert-butyl N-hex-5-enoylcarbamate (CID 101433045) is tert-butyl N-hex-5-enoylcarbamate.
What is the SMILES notation for tert-butyl N-hex-5-enoylcarbamate?
The canonical SMILES for tert-butyl N-hex-5-enoylcarbamate is C=CCCCC(=O)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-hex-5-enoylcarbamate?
The InChIKey is KPKNYUMOVHPHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-5-6-7-8-9(13)12-10(14)15-11(2,3)4/h5H,1,6-8H2,2-4H3,(H,12,13,14).
What are the key properties of tert-butyl N-hex-5-enoylcarbamate?
tert-butyl N-hex-5-enoylcarbamate has a molecular weight of 213.28 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-hex-5-enoylcarbamate is sourced from PubChem (CID 101433045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).