tert-butyl N-methyl-N-pent-4-en-1-ynylcarbamate

C11H17NO2 — CID 102530378

IUPACtert-butyl N-methyl-N-pent-4-en-1-ynylcarbamate
SMILESC=CCC#CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H17NO2/c1-6-7-8-9-12(5)10(13)14-11(2,3)4/h6H,1,7H2,2-5H3
InChIKeyPAZYUUHJZGMLCU-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.39
Rot. Bonds1

About tert-butyl N-methyl-N-pent-4-en-1-ynylcarbamate

tert-butyl N-methyl-N-pent-4-en-1-ynylcarbamate (PubChem CID 102530378) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is tert-butyl N-methyl-N-pent-4-en-1-ynylcarbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-pent-4-en-1-ynylcarbamate
PubChem CID102530378
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Nametert-butyl N-methyl-N-pent-4-en-1-ynylcarbamate
SMILESC=CCC#CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H17NO2/c1-6-7-8-9-12(5)10(13)14-11(2,3)4/h6H,1,7H2,2-5H3
InChIKeyPAZYUUHJZGMLCU-UHFFFAOYSA-N
XLogP2.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-pent-4-en-1-ynyl-N-phenylcarbamate
CID 165179783
tert-butyl N-methyl-N-prop-1-ynylcarbamate
CID 141180381
tert-butyl N-methyl-N-pent-4-enylcarbamate
CID 20756745
tert-butyl [(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino] carbonate
CID 11380287
tert-butyl N-butan-2-yl-N-prop-2-enylcarbamate
CID 10375927
tert-butyl N-[(E)-3-oxobut-1-enyl]-N-prop-2-enylcarbamate
CID 11356552
tert-butyl N-methyl-N-(1-oxopent-4-en-2-yl)carbamate
CID 72647061
tert-butyl N-(1-chlorobut-3-enyl)-N-prop-2-enylcarbamate
CID 156518979
tert-butyl N-but-3-enyl-N-(2-oxobut-3-enyl)carbamate
CID 118222042
tert-butyl N-methyl-N-[3-(methylideneamino)prop-2-ynyl]carbamate
CID 130472353
tert-butyl N-but-3-enoyl-N-prop-2-enylcarbamate
CID 51050847
tert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynoxy]-N-prop-2-enylcarbamate
CID 11405579

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-pent-4-en-1-ynylcarbamate?
The IUPAC name of tert-butyl N-methyl-N-pent-4-en-1-ynylcarbamate (CID 102530378) is tert-butyl N-methyl-N-pent-4-en-1-ynylcarbamate.
What is the SMILES notation for tert-butyl N-methyl-N-pent-4-en-1-ynylcarbamate?
The canonical SMILES for tert-butyl N-methyl-N-pent-4-en-1-ynylcarbamate is C=CCC#CN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-pent-4-en-1-ynylcarbamate?
The InChIKey is PAZYUUHJZGMLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-6-7-8-9-12(5)10(13)14-11(2,3)4/h6H,1,7H2,2-5H3.
What are the key properties of tert-butyl N-methyl-N-pent-4-en-1-ynylcarbamate?
tert-butyl N-methyl-N-pent-4-en-1-ynylcarbamate has a molecular weight of 195.26 g/mol, XLogP of 2.39, 1 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-en-1-ynylcarbamate is sourced from PubChem (CID 102530378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).