tert-butyl N-(2-prop-2-enoxyethyl)carbamate

C10H19NO3 — CID 23600215

IUPACtert-butyl N-(2-prop-2-enoxyethyl)carbamate
SMILESC=CCOCCNC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-5-7-13-8-6-11-9(12)14-10(2,3)4/h5H,1,6-8H2,2-4H3,(H,11,12)
InChIKeyNMCNXBAJXDQWIS-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.71
Rot. Bonds5

About tert-butyl N-(2-prop-2-enoxyethyl)carbamate

tert-butyl N-(2-prop-2-enoxyethyl)carbamate (PubChem CID 23600215) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is tert-butyl N-(2-prop-2-enoxyethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-prop-2-enoxyethyl)carbamate
PubChem CID23600215
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nametert-butyl N-(2-prop-2-enoxyethyl)carbamate
SMILESC=CCOCCNC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-5-7-13-8-6-11-9(12)14-10(2,3)4/h5H,1,6-8H2,2-4H3,(H,11,12)
InChIKeyNMCNXBAJXDQWIS-UHFFFAOYSA-N
XLogP1.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.71
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

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CID 11172242
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2-Propenoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl ester
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tert-butyl N-(1-prop-2-enoxyethyl)carbamate
CID 130015147
tert-butyl N-(3-methyl-1-prop-2-enoxybutyl)carbamate
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(2-tert-Butoxyethyl)carbamic Acid Allyl Ester
CID 139253353
tert-butyl N-[2-(3-methylbut-2-enoxy)ethyl]carbamate
CID 176435295
Allyl tert-butyl butane-1,4-diylbiscarbamate
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Allyl (2-(2-(2-aminoethoxy)ethoxy)ethyl)carbamate
CID 11345292
prop-2-en-1-yl (2S)-2-{[(tert-butoxy)carbonyl]amino}propanoate
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[(Z)-but-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
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1-[(2-Methylpropan-2-yl)oxycarbonylamino]but-3-en-2-yl acetate
CID 14887476

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-prop-2-enoxyethyl)carbamate?
The IUPAC name of tert-butyl N-(2-prop-2-enoxyethyl)carbamate (CID 23600215) is tert-butyl N-(2-prop-2-enoxyethyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-prop-2-enoxyethyl)carbamate?
The canonical SMILES for tert-butyl N-(2-prop-2-enoxyethyl)carbamate is C=CCOCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-prop-2-enoxyethyl)carbamate?
The InChIKey is NMCNXBAJXDQWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-5-7-13-8-6-11-9(12)14-10(2,3)4/h5H,1,6-8H2,2-4H3,(H,11,12).
What are the key properties of tert-butyl N-(2-prop-2-enoxyethyl)carbamate?
tert-butyl N-(2-prop-2-enoxyethyl)carbamate has a molecular weight of 201.27 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-prop-2-enoxyethyl)carbamate is sourced from PubChem (CID 23600215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).