tert-butyl N-methyl-N-pent-4-enylcarbamate

C11H21NO2 — CID 20756745

IUPACtert-butyl N-methyl-N-pent-4-enylcarbamate
SMILESC=CCCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO2/c1-6-7-8-9-12(5)10(13)14-11(2,3)4/h6H,1,7-9H2,2-5H3
InChIKeyZFTGFKQLCVNNJZ-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.82
Rot. Bonds4

About tert-butyl N-methyl-N-pent-4-enylcarbamate

tert-butyl N-methyl-N-pent-4-enylcarbamate (PubChem CID 20756745) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is tert-butyl N-methyl-N-pent-4-enylcarbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-pent-4-enylcarbamate
PubChem CID20756745
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nametert-butyl N-methyl-N-pent-4-enylcarbamate
SMILESC=CCCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO2/c1-6-7-8-9-12(5)10(13)14-11(2,3)4/h6H,1,7-9H2,2-5H3
InChIKeyZFTGFKQLCVNNJZ-UHFFFAOYSA-N
XLogP2.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

tert-butyl N-methyl-N-(3-trimethylsilylpropyl)carbamate
CID 159187536
tert-butyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
CID 163409952
tert-butyl N-[4-(dimethylamino)-4-oxobutyl]-N-methylcarbamate
CID 19757668
tert-butyl N-(9-bromononyl)-N-methylcarbamate
CID 166638484
tert-butyl N-methyl-N-(5-methyl-4-oxohex-5-enyl)carbamate
CID 167204314
tert-butyl N-[4-[3-[ethenyl(methyl)amino]propylamino]butyl]-N-methylcarbamate
CID 170112382
tert-butyl N-(4-hydroxypentyl)-N-methylcarbamate
CID 23122203
ethane;N-methyl-N-pent-4-enylacetamide
CID 143214157
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylazanium
CID 7006641
tert-butyl N-benzyl-N-pent-4-enylcarbamate
CID 15840242
tert-butyl N-(2-aminooxyethyl)-N-methylcarbamate
CID 23398498
N-methyl-N-pent-4-enylpropanamide
CID 115640317

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-pent-4-enylcarbamate?
The IUPAC name of tert-butyl N-methyl-N-pent-4-enylcarbamate (CID 20756745) is tert-butyl N-methyl-N-pent-4-enylcarbamate.
What is the SMILES notation for tert-butyl N-methyl-N-pent-4-enylcarbamate?
The canonical SMILES for tert-butyl N-methyl-N-pent-4-enylcarbamate is C=CCCCN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-pent-4-enylcarbamate?
The InChIKey is ZFTGFKQLCVNNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-6-7-8-9-12(5)10(13)14-11(2,3)4/h6H,1,7-9H2,2-5H3.
What are the key properties of tert-butyl N-methyl-N-pent-4-enylcarbamate?
tert-butyl N-methyl-N-pent-4-enylcarbamate has a molecular weight of 199.29 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-pent-4-enylcarbamate is sourced from PubChem (CID 20756745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).