methyl N-hexa-1,3,5-trienylcarbamate

C8H11NO2 — CID 564200

IUPACmethyl N-hexa-1,3,5-trienylcarbamate
SMILESC=CC=CC=CNC(=O)OC
InChIInChI=1S/C8H11NO2/c1-3-4-5-6-7-9-8(10)11-2/h3-7H,1H2,2H3,(H,9,10)
InChIKeyKVRFPWMRLIMDOY-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.60
Rot. Bonds3

About methyl N-hexa-1,3,5-trienylcarbamate

methyl N-hexa-1,3,5-trienylcarbamate (PubChem CID 564200) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is methyl N-hexa-1,3,5-trienylcarbamate.

Molecular Properties

Compound Namemethyl N-hexa-1,3,5-trienylcarbamate
PubChem CID564200
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Namemethyl N-hexa-1,3,5-trienylcarbamate
SMILESC=CC=CC=CNC(=O)OC
InChIInChI=1S/C8H11NO2/c1-3-4-5-6-7-9-8(10)11-2/h3-7H,1H2,2H3,(H,9,10)
InChIKeyKVRFPWMRLIMDOY-UHFFFAOYSA-N
XLogP1.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.60
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-hexa-1,3,5-trienylcarbamate?
The IUPAC name of methyl N-hexa-1,3,5-trienylcarbamate (CID 564200) is methyl N-hexa-1,3,5-trienylcarbamate.
What is the SMILES notation for methyl N-hexa-1,3,5-trienylcarbamate?
The canonical SMILES for methyl N-hexa-1,3,5-trienylcarbamate is C=CC=CC=CNC(=O)OC.
What is the InChIKey of methyl N-hexa-1,3,5-trienylcarbamate?
The InChIKey is KVRFPWMRLIMDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-3-4-5-6-7-9-8(10)11-2/h3-7H,1H2,2H3,(H,9,10).
What are the key properties of methyl N-hexa-1,3,5-trienylcarbamate?
methyl N-hexa-1,3,5-trienylcarbamate has a molecular weight of 153.18 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-hexa-1,3,5-trienylcarbamate is sourced from PubChem (CID 564200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).