[(2E)-2-ethenylpenta-2,4-dienyl] N-methylcarbamate

C9H13NO2 — CID 142074520

IUPAC[(2E)-2-ethenylpenta-2,4-dienyl] N-methylcarbamate
SMILESC=C/C=C(\C=C)COC(=O)NC
InChIInChI=1S/C9H13NO2/c1-4-6-8(5-2)7-12-9(11)10-3/h4-6H,1-2,7H2,3H3,(H,10,11)/b8-6+
InChIKeyKMHIQNBGXWHDAG-SOFGYWHQSA-N
MW167.21 g/mol
LogP1.64
Rot. Bonds4

About [(2E)-2-ethenylpenta-2,4-dienyl] N-methylcarbamate

[(2E)-2-ethenylpenta-2,4-dienyl] N-methylcarbamate (PubChem CID 142074520) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is [(2E)-2-ethenylpenta-2,4-dienyl] N-methylcarbamate.

Molecular Properties

Compound Name[(2E)-2-ethenylpenta-2,4-dienyl] N-methylcarbamate
PubChem CID142074520
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name[(2E)-2-ethenylpenta-2,4-dienyl] N-methylcarbamate
SMILESC=C/C=C(\C=C)COC(=O)NC
InChIInChI=1S/C9H13NO2/c1-4-6-8(5-2)7-12-9(11)10-3/h4-6H,1-2,7H2,3H3,(H,10,11)/b8-6+
InChIKeyKMHIQNBGXWHDAG-SOFGYWHQSA-N
XLogP1.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.64
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 [(2E)-2-ethenylpenta-2,4-dienyl] N-methylcarbamate?
The IUPAC name of [(2E)-2-ethenylpenta-2,4-dienyl] N-methylcarbamate (CID 142074520) is [(2E)-2-ethenylpenta-2,4-dienyl] N-methylcarbamate.
What is the SMILES notation for [(2E)-2-ethenylpenta-2,4-dienyl] N-methylcarbamate?
The canonical SMILES for [(2E)-2-ethenylpenta-2,4-dienyl] N-methylcarbamate is C=C/C=C(\C=C)COC(=O)NC.
What is the InChIKey of [(2E)-2-ethenylpenta-2,4-dienyl] N-methylcarbamate?
The InChIKey is KMHIQNBGXWHDAG-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H13NO2/c1-4-6-8(5-2)7-12-9(11)10-3/h4-6H,1-2,7H2,3H3,(H,10,11)/b8-6+.
What are the key properties of [(2E)-2-ethenylpenta-2,4-dienyl] N-methylcarbamate?
[(2E)-2-ethenylpenta-2,4-dienyl] N-methylcarbamate has a molecular weight of 167.21 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-2-ethenylpenta-2,4-dienyl] N-methylcarbamate is sourced from PubChem (CID 142074520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).