tert-butyl N-prop-1-enyl-N-propylcarbamate

C11H21NO2 — CID 90845357

IUPACtert-butyl N-prop-1-enyl-N-propylcarbamate
SMILESCC=CN(CCC)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO2/c1-6-8-12(9-7-2)10(13)14-11(3,4)5/h6,8H,7,9H2,1-5H3
InChIKeyROPJZOUAWFCOTG-UHFFFAOYSA-N
MW199.29 g/mol
LogP3.17
Rot. Bonds3

About tert-butyl N-prop-1-enyl-N-propylcarbamate

tert-butyl N-prop-1-enyl-N-propylcarbamate (PubChem CID 90845357) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is tert-butyl N-prop-1-enyl-N-propylcarbamate.

Molecular Properties

Compound Nametert-butyl N-prop-1-enyl-N-propylcarbamate
PubChem CID90845357
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nametert-butyl N-prop-1-enyl-N-propylcarbamate
SMILESCC=CN(CCC)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO2/c1-6-8-12(9-7-2)10(13)14-11(3,4)5/h6,8H,7,9H2,1-5H3
InChIKeyROPJZOUAWFCOTG-UHFFFAOYSA-N
XLogP3.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[(E)-but-2-enyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 11777975
methyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonyl-[(E)-prop-1-enyl]amino]acetyl]-prop-2-enylamino]acetate
CID 10592229
tert-butyl N-(2-phosphanylethyl)-N-propylcarbamate
CID 145297430
tert-butyl N-dodecyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 89457667
tert-butyl N,N-dipentylcarbamate
CID 65142743
acetaldehyde;acetylene;tert-butyl N,N-diethylcarbamate
CID 143752017
tert-butyl N-[(Z)-4-[(E)-but-2-en-2-yl]-4-hydroxy-5-methylhept-5-enyl]-N-propylcarbamate
CID 145332819
tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]-N-propylcarbamate
CID 89116741
5-[formyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
CID 102278114
2-[ethenyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 18784338
tert-butyl N-amino-N-[(E)-but-2-enyl]carbamate
CID 131234947
tert-butyl N-(4-oxo-1-pyridinyl)-N-propylcarbamate
CID 57201710

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-prop-1-enyl-N-propylcarbamate?
The IUPAC name of tert-butyl N-prop-1-enyl-N-propylcarbamate (CID 90845357) is tert-butyl N-prop-1-enyl-N-propylcarbamate.
What is the SMILES notation for tert-butyl N-prop-1-enyl-N-propylcarbamate?
The canonical SMILES for tert-butyl N-prop-1-enyl-N-propylcarbamate is CC=CN(CCC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-prop-1-enyl-N-propylcarbamate?
The InChIKey is ROPJZOUAWFCOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-6-8-12(9-7-2)10(13)14-11(3,4)5/h6,8H,7,9H2,1-5H3.
What are the key properties of tert-butyl N-prop-1-enyl-N-propylcarbamate?
tert-butyl N-prop-1-enyl-N-propylcarbamate has a molecular weight of 199.29 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-prop-1-enyl-N-propylcarbamate is sourced from PubChem (CID 90845357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).