methyl N-penta-1,3-dienylcarbamate

C7H11NO2 — CID 71365364

IUPACmethyl N-penta-1,3-dienylcarbamate
SMILESCC=CC=CNC(=O)OC
InChIInChI=1S/C7H11NO2/c1-3-4-5-6-8-7(9)10-2/h3-6H,1-2H3,(H,8,9)
InChIKeyLWRSTTDWRIXPCK-UHFFFAOYSA-N
MW141.17 g/mol
LogP1.43
Rot. Bonds2

About methyl N-penta-1,3-dienylcarbamate

methyl N-penta-1,3-dienylcarbamate (PubChem CID 71365364) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is methyl N-penta-1,3-dienylcarbamate.

Molecular Properties

Compound Namemethyl N-penta-1,3-dienylcarbamate
PubChem CID71365364
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Namemethyl N-penta-1,3-dienylcarbamate
SMILESCC=CC=CNC(=O)OC
InChIInChI=1S/C7H11NO2/c1-3-4-5-6-8-7(9)10-2/h3-6H,1-2H3,(H,8,9)
InChIKeyLWRSTTDWRIXPCK-UHFFFAOYSA-N
XLogP1.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl N-penta-1,3-dienylcarbamate?
The IUPAC name of methyl N-penta-1,3-dienylcarbamate (CID 71365364) is methyl N-penta-1,3-dienylcarbamate.
What is the SMILES notation for methyl N-penta-1,3-dienylcarbamate?
The canonical SMILES for methyl N-penta-1,3-dienylcarbamate is CC=CC=CNC(=O)OC.
What is the InChIKey of methyl N-penta-1,3-dienylcarbamate?
The InChIKey is LWRSTTDWRIXPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-3-4-5-6-8-7(9)10-2/h3-6H,1-2H3,(H,8,9).
What are the key properties of methyl N-penta-1,3-dienylcarbamate?
methyl N-penta-1,3-dienylcarbamate has a molecular weight of 141.17 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-penta-1,3-dienylcarbamate is sourced from PubChem (CID 71365364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).