tert-butyl N-(oxiran-2-ylmethyl)-N-prop-2-enylcarbamate

C11H19NO3 — CID 167424527

IUPACtert-butyl N-(oxiran-2-ylmethyl)-N-prop-2-enylcarbamate
SMILESC=CCN(CC1CO1)C(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO3/c1-5-6-12(7-9-8-14-9)10(13)15-11(2,3)4/h5,9H,1,6-8H2,2-4H3
InChIKeyJDPQKTFOVOJVHP-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.81
Rot. Bonds4

About tert-butyl N-(oxiran-2-ylmethyl)-N-prop-2-enylcarbamate

tert-butyl N-(oxiran-2-ylmethyl)-N-prop-2-enylcarbamate (PubChem CID 167424527) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is tert-butyl N-(oxiran-2-ylmethyl)-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(oxiran-2-ylmethyl)-N-prop-2-enylcarbamate
PubChem CID167424527
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nametert-butyl N-(oxiran-2-ylmethyl)-N-prop-2-enylcarbamate
SMILESC=CCN(CC1CO1)C(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO3/c1-5-6-12(7-9-8-14-9)10(13)15-11(2,3)4/h5,9H,1,6-8H2,2-4H3
InChIKeyJDPQKTFOVOJVHP-UHFFFAOYSA-N
XLogP1.81
TPSA42.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl N-(oxiran-2-ylmethyl)-N-prop-2-enylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(1R)-1-[(2S)-oxiran-2-yl]but-3-enyl]-N-prop-2-enylcarbamate
CID 45101554
prop-2-enyl N-methyl-N-(oxiran-2-ylmethyl)carbamate
CID 59768322
Oxiran-2-ylmethyl(prop-2-enyl)carbamic acid
CID 87093354
[(2S)-oxiran-2-yl]methyl-prop-2-enylcarbamic acid
CID 87093403
N-(oxiran-2-ylmethyl)-N-prop-2-enylacetamide
CID 88653775
N-[(2-methyloxiran-2-yl)methyl]-N-prop-2-enylacetamide
CID 88654252
tert-butyl N-[(oxiran-2-yl)methyl]-N-propylcarbamate
CID 156261124
tert-butyl N-[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl-(oxiran-2-ylmethyl)amino]propyl]-N-prop-2-enylcarbamate
CID 167424525
tert-butyl N-(2-methoxypent-4-ynyl)-N-prop-2-enylcarbamate
CID 168224807
N-but-2-enyl-N-(oxiran-2-ylmethyl)formamide
CID 173429137
tert-butyl 3,5-dihydro-2H-1,4-oxazepine-4-carboxylate
CID 84668960
propan-2-yl N-(2-methoxyethyl)-N-prop-2-enylcarbamate
CID 103338597

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(oxiran-2-ylmethyl)-N-prop-2-enylcarbamate?
The IUPAC name of tert-butyl N-(oxiran-2-ylmethyl)-N-prop-2-enylcarbamate (CID 167424527) is tert-butyl N-(oxiran-2-ylmethyl)-N-prop-2-enylcarbamate.
What is the SMILES notation for tert-butyl N-(oxiran-2-ylmethyl)-N-prop-2-enylcarbamate?
The canonical SMILES for tert-butyl N-(oxiran-2-ylmethyl)-N-prop-2-enylcarbamate is C=CCN(CC1CO1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(oxiran-2-ylmethyl)-N-prop-2-enylcarbamate?
The InChIKey is JDPQKTFOVOJVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-5-6-12(7-9-8-14-9)10(13)15-11(2,3)4/h5,9H,1,6-8H2,2-4H3.
What are the key properties of tert-butyl N-(oxiran-2-ylmethyl)-N-prop-2-enylcarbamate?
tert-butyl N-(oxiran-2-ylmethyl)-N-prop-2-enylcarbamate has a molecular weight of 213.28 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(oxiran-2-ylmethyl)-N-prop-2-enylcarbamate is sourced from PubChem (CID 167424527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).