tert-butyl N-[(Z,3R)-hex-4-en-3-yl]carbamate

C11H21NO2 — CID 45091925

IUPACtert-butyl N-[(Z,3R)-hex-4-en-3-yl]carbamate
SMILESC/C=C\[C@@H](CC)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO2/c1-6-8-9(7-2)12-10(13)14-11(3,4)5/h6,8-9H,7H2,1-5H3,(H,12,13)/b8-6-/t9-/m1/s1
InChIKeyKUJYSYCIKDBIGR-JGAIRUGNSA-N
MW199.29 g/mol
LogP2.87
Rot. Bonds3

About tert-butyl N-[(Z,3R)-hex-4-en-3-yl]carbamate

tert-butyl N-[(Z,3R)-hex-4-en-3-yl]carbamate (PubChem CID 45091925) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is tert-butyl N-[(Z,3R)-hex-4-en-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z,3R)-hex-4-en-3-yl]carbamate
PubChem CID45091925
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nametert-butyl N-[(Z,3R)-hex-4-en-3-yl]carbamate
SMILESC/C=C\[C@@H](CC)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO2/c1-6-8-9(7-2)12-10(13)14-11(3,4)5/h6,8-9H,7H2,1-5H3,(H,12,13)/b8-6-/t9-/m1/s1
InChIKeyKUJYSYCIKDBIGR-JGAIRUGNSA-N
XLogP2.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(E,3S)-hex-4-en-3-yl]carbamate
CID 102602622
tert-butyl N-[1-(methylamino)pent-3-en-2-yl]carbamate
CID 142556897
methyl (4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]hex-2-enoate
CID 123473342
ethyl N-[(E)-hex-4-en-3-yl]carbamate
CID 11030282
tert-butyl N-[(E)-1-(hydroxyamino)-1-oxopent-3-en-2-yl]carbamate
CID 163956340
tert-butyl N-[(E)-2-methylhex-4-en-3-yl]carbamate
CID 15936517
tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 87856844
tert-butyl N-(1-oxohex-4-en-2-yl)carbamate
CID 71437064
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 2755934
tert-butyl N-[(2S)-1-oxopentan-2-yl]carbamate
CID 10262225
tert-butyl N-[(E)-4-fluoro-1-hydroxybut-3-en-2-yl]carbamate
CID 130003566
tert-butyl N-[(1R)-1-aminopropyl]carbamate
CID 45092381

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z,3R)-hex-4-en-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(Z,3R)-hex-4-en-3-yl]carbamate (CID 45091925) is tert-butyl N-[(Z,3R)-hex-4-en-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(Z,3R)-hex-4-en-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(Z,3R)-hex-4-en-3-yl]carbamate is C/C=C\[C@@H](CC)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(Z,3R)-hex-4-en-3-yl]carbamate?
The InChIKey is KUJYSYCIKDBIGR-JGAIRUGNSA-N. The full InChI is InChI=1S/C11H21NO2/c1-6-8-9(7-2)12-10(13)14-11(3,4)5/h6,8-9H,7H2,1-5H3,(H,12,13)/b8-6-/t9-/m1/s1.
What are the key properties of tert-butyl N-[(Z,3R)-hex-4-en-3-yl]carbamate?
tert-butyl N-[(Z,3R)-hex-4-en-3-yl]carbamate has a molecular weight of 199.29 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z,3R)-hex-4-en-3-yl]carbamate is sourced from PubChem (CID 45091925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).