(2-amino-2-oxoethyl) N-hex-2-enylcarbamate

C9H16N2O3 — CID 73154018

IUPAC(2-amino-2-oxoethyl) N-hex-2-enylcarbamate
SMILESCCCC=CCNC(=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)
InChIKeyJUNYAHZDIRCSIG-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.55
Rot. Bonds6

About (2-amino-2-oxoethyl) N-hex-2-enylcarbamate

(2-amino-2-oxoethyl) N-hex-2-enylcarbamate (PubChem CID 73154018) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) N-hex-2-enylcarbamate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) N-hex-2-enylcarbamate
PubChem CID73154018
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name(2-amino-2-oxoethyl) N-hex-2-enylcarbamate
SMILESCCCC=CCNC(=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)
InChIKeyJUNYAHZDIRCSIG-UHFFFAOYSA-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-[(E)-hex-2-enyl]carbamate
CID 11960459
(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

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) N-hex-2-enylcarbamate?
The IUPAC name of (2-amino-2-oxoethyl) N-hex-2-enylcarbamate (CID 73154018) is (2-amino-2-oxoethyl) N-hex-2-enylcarbamate.
What is the SMILES notation for (2-amino-2-oxoethyl) N-hex-2-enylcarbamate?
The canonical SMILES for (2-amino-2-oxoethyl) N-hex-2-enylcarbamate is CCCC=CCNC(=O)OCC(N)=O.
What is the InChIKey of (2-amino-2-oxoethyl) N-hex-2-enylcarbamate?
The InChIKey is JUNYAHZDIRCSIG-UHFFFAOYSA-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).
What are the key properties of (2-amino-2-oxoethyl) N-hex-2-enylcarbamate?
(2-amino-2-oxoethyl) N-hex-2-enylcarbamate 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-hex-2-enylcarbamate is sourced from PubChem (CID 73154018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).