2-ethenylpenta-2,4-dienyl N-propan-2-ylcarbamate

C11H17NO2 — CID 123422486

IUPAC2-ethenylpenta-2,4-dienyl N-propan-2-ylcarbamate
SMILESC=CC=C(C=C)COC(=O)NC(C)C
InChIInChI=1S/C11H17NO2/c1-5-7-10(6-2)8-14-11(13)12-9(3)4/h5-7,9H,1-2,8H2,3-4H3,(H,12,13)
InChIKeyRMMSLLPVNSWKKA-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.42
Rot. Bonds5

About 2-ethenylpenta-2,4-dienyl N-propan-2-ylcarbamate

2-ethenylpenta-2,4-dienyl N-propan-2-ylcarbamate (PubChem CID 123422486) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-ethenylpenta-2,4-dienyl N-propan-2-ylcarbamate.

Molecular Properties

Compound Name2-ethenylpenta-2,4-dienyl N-propan-2-ylcarbamate
PubChem CID123422486
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-ethenylpenta-2,4-dienyl N-propan-2-ylcarbamate
SMILESC=CC=C(C=C)COC(=O)NC(C)C
InChIInChI=1S/C11H17NO2/c1-5-7-10(6-2)8-14-11(13)12-9(3)4/h5-7,9H,1-2,8H2,3-4H3,(H,12,13)
InChIKeyRMMSLLPVNSWKKA-UHFFFAOYSA-N
XLogP2.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.42
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 2-ethenylpenta-2,4-dienyl N-propan-2-ylcarbamate?
The IUPAC name of 2-ethenylpenta-2,4-dienyl N-propan-2-ylcarbamate (CID 123422486) is 2-ethenylpenta-2,4-dienyl N-propan-2-ylcarbamate.
What is the SMILES notation for 2-ethenylpenta-2,4-dienyl N-propan-2-ylcarbamate?
The canonical SMILES for 2-ethenylpenta-2,4-dienyl N-propan-2-ylcarbamate is C=CC=C(C=C)COC(=O)NC(C)C.
What is the InChIKey of 2-ethenylpenta-2,4-dienyl N-propan-2-ylcarbamate?
The InChIKey is RMMSLLPVNSWKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-5-7-10(6-2)8-14-11(13)12-9(3)4/h5-7,9H,1-2,8H2,3-4H3,(H,12,13).
What are the key properties of 2-ethenylpenta-2,4-dienyl N-propan-2-ylcarbamate?
2-ethenylpenta-2,4-dienyl N-propan-2-ylcarbamate has a molecular weight of 195.26 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylpenta-2,4-dienyl N-propan-2-ylcarbamate is sourced from PubChem (CID 123422486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).