[2,6-bis(prop-2-enyl)phenyl] N,N-dimethylcarbamate

C15H19NO2 — CID 518063

IUPAC[2,6-bis(prop-2-enyl)phenyl] N,N-dimethylcarbamate
SMILESC=CCc1cccc(CC=C)c1OC(=O)N(C)C
InChIInChI=1S/C15H19NO2/c1-5-8-12-10-7-11-13(9-6-2)14(12)18-15(17)16(3)4/h5-7,10-11H,1-2,8-9H2,3-4H3
InChIKeyLVICXIFQCIHAPU-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.20
Rot. Bonds5

About [2,6-bis(prop-2-enyl)phenyl] N,N-dimethylcarbamate

[2,6-bis(prop-2-enyl)phenyl] N,N-dimethylcarbamate (PubChem CID 518063) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is [2,6-bis(prop-2-enyl)phenyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[2,6-bis(prop-2-enyl)phenyl] N,N-dimethylcarbamate
PubChem CID518063
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name[2,6-bis(prop-2-enyl)phenyl] N,N-dimethylcarbamate
SMILESC=CCc1cccc(CC=C)c1OC(=O)N(C)C
InChIInChI=1S/C15H19NO2/c1-5-8-12-10-7-11-13(9-6-2)14(12)18-15(17)16(3)4/h5-7,10-11H,1-2,8-9H2,3-4H3
InChIKeyLVICXIFQCIHAPU-UHFFFAOYSA-N
XLogP3.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2,6-bis(prop-2-enyl)phenyl] N,N-dimethylcarbamate?
The IUPAC name of [2,6-bis(prop-2-enyl)phenyl] N,N-dimethylcarbamate (CID 518063) is [2,6-bis(prop-2-enyl)phenyl] N,N-dimethylcarbamate.
What is the SMILES notation for [2,6-bis(prop-2-enyl)phenyl] N,N-dimethylcarbamate?
The canonical SMILES for [2,6-bis(prop-2-enyl)phenyl] N,N-dimethylcarbamate is C=CCc1cccc(CC=C)c1OC(=O)N(C)C.
What is the InChIKey of [2,6-bis(prop-2-enyl)phenyl] N,N-dimethylcarbamate?
The InChIKey is LVICXIFQCIHAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-5-8-12-10-7-11-13(9-6-2)14(12)18-15(17)16(3)4/h5-7,10-11H,1-2,8-9H2,3-4H3.
What are the key properties of [2,6-bis(prop-2-enyl)phenyl] N,N-dimethylcarbamate?
[2,6-bis(prop-2-enyl)phenyl] N,N-dimethylcarbamate has a molecular weight of 245.32 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-bis(prop-2-enyl)phenyl] N,N-dimethylcarbamate is sourced from PubChem (CID 518063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).