[(2Z)-3-(carbamoyloxymethyl)penta-2,4-dienyl] N-methylcarbamate

C9H14N2O4 — CID 58805124

IUPAC[(2Z)-3-(carbamoyloxymethyl)penta-2,4-dienyl] N-methylcarbamate
SMILESC=C/C(=C/COC(=O)NC)COC(N)=O
InChIInChI=1S/C9H14N2O4/c1-3-7(6-15-8(10)12)4-5-14-9(13)11-2/h3-4H,1,5-6H2,2H3,(H2,10,12)(H,11,13)/b7-4-
InChIKeyRHJVZUOBVCVWIR-DAXSKMNVSA-N
MW214.22 g/mol
LogP0.55
Rot. Bonds5

About [(2Z)-3-(carbamoyloxymethyl)penta-2,4-dienyl] N-methylcarbamate

[(2Z)-3-(carbamoyloxymethyl)penta-2,4-dienyl] N-methylcarbamate (PubChem CID 58805124) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is [(2Z)-3-(carbamoyloxymethyl)penta-2,4-dienyl] N-methylcarbamate.

Molecular Properties

Compound Name[(2Z)-3-(carbamoyloxymethyl)penta-2,4-dienyl] N-methylcarbamate
PubChem CID58805124
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name[(2Z)-3-(carbamoyloxymethyl)penta-2,4-dienyl] N-methylcarbamate
SMILESC=C/C(=C/COC(=O)NC)COC(N)=O
InChIInChI=1S/C9H14N2O4/c1-3-7(6-15-8(10)12)4-5-14-9(13)11-2/h3-4H,1,5-6H2,2H3,(H2,10,12)(H,11,13)/b7-4-
InChIKeyRHJVZUOBVCVWIR-DAXSKMNVSA-N
XLogP0.55
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2Z)-3-(carbamoyloxymethyl)penta-2,4-dienyl] N-methylcarbamate?
The IUPAC name of [(2Z)-3-(carbamoyloxymethyl)penta-2,4-dienyl] N-methylcarbamate (CID 58805124) is [(2Z)-3-(carbamoyloxymethyl)penta-2,4-dienyl] N-methylcarbamate.
What is the SMILES notation for [(2Z)-3-(carbamoyloxymethyl)penta-2,4-dienyl] N-methylcarbamate?
The canonical SMILES for [(2Z)-3-(carbamoyloxymethyl)penta-2,4-dienyl] N-methylcarbamate is C=C/C(=C/COC(=O)NC)COC(N)=O.
What is the InChIKey of [(2Z)-3-(carbamoyloxymethyl)penta-2,4-dienyl] N-methylcarbamate?
The InChIKey is RHJVZUOBVCVWIR-DAXSKMNVSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-3-7(6-15-8(10)12)4-5-14-9(13)11-2/h3-4H,1,5-6H2,2H3,(H2,10,12)(H,11,13)/b7-4-.
What are the key properties of [(2Z)-3-(carbamoyloxymethyl)penta-2,4-dienyl] N-methylcarbamate?
[(2Z)-3-(carbamoyloxymethyl)penta-2,4-dienyl] N-methylcarbamate has a molecular weight of 214.22 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-3-(carbamoyloxymethyl)penta-2,4-dienyl] N-methylcarbamate is sourced from PubChem (CID 58805124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).