[2-(methylamino)-2-oxoethyl] N-[(E)-hex-2-enyl]carbamate

C10H18N2O3 — CID 11960458

IUPAC[2-(methylamino)-2-oxoethyl] N-[(E)-hex-2-enyl]carbamate
SMILESCCC/C=C/CNC(=O)OCC(=O)NC
InChIInChI=1S/C10H18N2O3/c1-3-4-5-6-7-12-10(14)15-8-9(13)11-2/h5-6H,3-4,7-8H2,1-2H3,(H,11,13)(H,12,14)/b6-5+
InChIKeyIYTRQFUVPVAPSD-AATRIKPKSA-N
MW214.26 g/mol
LogP0.81
Rot. Bonds6

About [2-(methylamino)-2-oxoethyl] N-[(E)-hex-2-enyl]carbamate

[2-(methylamino)-2-oxoethyl] N-[(E)-hex-2-enyl]carbamate (PubChem CID 11960458) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] N-[(E)-hex-2-enyl]carbamate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] N-[(E)-hex-2-enyl]carbamate
PubChem CID11960458
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name[2-(methylamino)-2-oxoethyl] N-[(E)-hex-2-enyl]carbamate
SMILESCCC/C=C/CNC(=O)OCC(=O)NC
InChIInChI=1S/C10H18N2O3/c1-3-4-5-6-7-12-10(14)15-8-9(13)11-2/h5-6H,3-4,7-8H2,1-2H3,(H,11,13)(H,12,14)/b6-5+
InChIKeyIYTRQFUVPVAPSD-AATRIKPKSA-N
XLogP0.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-2-oxoethyl) N-[(E)-hex-2-enyl]carbamate
CID 11960459
(2-amino-2-oxoethyl) N-[(Z)-hex-2-enyl]carbamate
CID 11960460
propyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate
CID 58895205
ethyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate
CID 58895255
propyl N-nona-2,6-dienylcarbamate
CID 72455972
ethyl N-nona-2,6-dienylcarbamate
CID 72456004
[2-(methylamino)-2-oxoethyl] N-hex-2-enylcarbamate
CID 73154017
(2-amino-2-oxoethyl) N-hex-2-enylcarbamate
CID 73154018
[(2S)-1-amino-1-oxopropan-2-yl] N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate
CID 88275173
[2-(methylamino)-2-oxoethyl] N-tetradec-11-enylcarbamate
CID 90853426
(2-amino-2-oxoethyl) N-nonadeca-4,7,10,13-tetraenylcarbamate
CID 90894811
[2-(methylamino)-2-oxoethyl] N-hexadec-9-enylcarbamate
CID 90912577

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] N-[(E)-hex-2-enyl]carbamate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] N-[(E)-hex-2-enyl]carbamate (CID 11960458) is [2-(methylamino)-2-oxoethyl] N-[(E)-hex-2-enyl]carbamate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] N-[(E)-hex-2-enyl]carbamate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] N-[(E)-hex-2-enyl]carbamate is CCC/C=C/CNC(=O)OCC(=O)NC.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] N-[(E)-hex-2-enyl]carbamate?
The InChIKey is IYTRQFUVPVAPSD-AATRIKPKSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-3-4-5-6-7-12-10(14)15-8-9(13)11-2/h5-6H,3-4,7-8H2,1-2H3,(H,11,13)(H,12,14)/b6-5+.
What are the key properties of [2-(methylamino)-2-oxoethyl] N-[(E)-hex-2-enyl]carbamate?
[2-(methylamino)-2-oxoethyl] N-[(E)-hex-2-enyl]carbamate has a molecular weight of 214.26 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] N-[(E)-hex-2-enyl]carbamate is sourced from PubChem (CID 11960458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).