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

C9H16N2O3 — CID 11960459

IUPAC(2-amino-2-oxoethyl) N-[(E)-hex-2-enyl]carbamate
SMILESCCC/C=C/CNC(=O)OCC(N)=O
InChIInChI=1S/C9H16N2O3/c1-2-3-4-5-6-11-9(13)14-7-8(10)12/h4-5H,2-3,6-7H2,1H3,(H2,10,12)(H,11,13)/b5-4+
InChIKeyJUNYAHZDIRCSIG-SNAWJCMRSA-N
MW200.24 g/mol
LogP0.55
Rot. Bonds6

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

(2-amino-2-oxoethyl) N-[(E)-hex-2-enyl]carbamate (PubChem CID 11960459) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) N-[(E)-hex-2-enyl]carbamate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) N-[(E)-hex-2-enyl]carbamate
PubChem CID11960459
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name(2-amino-2-oxoethyl) N-[(E)-hex-2-enyl]carbamate
SMILESCCC/C=C/CNC(=O)OCC(N)=O
InChIInChI=1S/C9H16N2O3/c1-2-3-4-5-6-11-9(13)14-7-8(10)12/h4-5H,2-3,6-7H2,1H3,(H2,10,12)(H,11,13)/b5-4+
InChIKeyJUNYAHZDIRCSIG-SNAWJCMRSA-N
XLogP0.55
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.55
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-(methylamino)-2-oxoethyl] N-[(E)-hex-2-enyl]carbamate
CID 11960458
(2-amino-2-oxoethyl) N-[(Z)-hex-2-enyl]carbamate
CID 11960460
(2-amino-2-oxoethyl) N-[(Z)-tetradec-11-enyl]carbamate
CID 11960566
butyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate
CID 58895200
propyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate
CID 58895205
ethyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate
CID 58895255
but-3-enyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate
CID 58895287
butyl N-nona-2,6-dienylcarbamate
CID 72455970
propyl N-nona-2,6-dienylcarbamate
CID 72455972
ethyl N-nona-2,6-dienylcarbamate
CID 72456004
but-3-enyl N-nona-2,6-dienylcarbamate
CID 72456016
[2-(methylamino)-2-oxoethyl] N-hex-2-enylcarbamate
CID 73154017

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) N-[(E)-hex-2-enyl]carbamate?
The IUPAC name of (2-amino-2-oxoethyl) N-[(E)-hex-2-enyl]carbamate (CID 11960459) is (2-amino-2-oxoethyl) N-[(E)-hex-2-enyl]carbamate.
What is the SMILES notation for (2-amino-2-oxoethyl) N-[(E)-hex-2-enyl]carbamate?
The canonical SMILES for (2-amino-2-oxoethyl) N-[(E)-hex-2-enyl]carbamate is CCC/C=C/CNC(=O)OCC(N)=O.
What is the InChIKey of (2-amino-2-oxoethyl) N-[(E)-hex-2-enyl]carbamate?
The InChIKey is JUNYAHZDIRCSIG-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-2-3-4-5-6-11-9(13)14-7-8(10)12/h4-5H,2-3,6-7H2,1H3,(H2,10,12)(H,11,13)/b5-4+.
What are the key properties of (2-amino-2-oxoethyl) N-[(E)-hex-2-enyl]carbamate?
(2-amino-2-oxoethyl) N-[(E)-hex-2-enyl]carbamate has a molecular weight of 200.24 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) N-[(E)-hex-2-enyl]carbamate is sourced from PubChem (CID 11960459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).