[(2E)-2-ethenylpenta-2,4-dienyl] N-(4-hydroxybutan-2-yl)carbamate

C12H19NO3 — CID 142467346

IUPAC[(2E)-2-ethenylpenta-2,4-dienyl] N-(4-hydroxybutan-2-yl)carbamate
SMILESC=C/C=C(\C=C)COC(=O)NC(C)CCO
InChIInChI=1S/C12H19NO3/c1-4-6-11(5-2)9-16-12(15)13-10(3)7-8-14/h4-6,10,14H,1-2,7-9H2,3H3,(H,13,15)/b11-6+
InChIKeyDOIITPPYZYVETA-IZZDOVSWSA-N
MW225.29 g/mol
LogP1.78
Rot. Bonds7

About [(2E)-2-ethenylpenta-2,4-dienyl] N-(4-hydroxybutan-2-yl)carbamate

[(2E)-2-ethenylpenta-2,4-dienyl] N-(4-hydroxybutan-2-yl)carbamate (PubChem CID 142467346) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is [(2E)-2-ethenylpenta-2,4-dienyl] N-(4-hydroxybutan-2-yl)carbamate.

Molecular Properties

Compound Name[(2E)-2-ethenylpenta-2,4-dienyl] N-(4-hydroxybutan-2-yl)carbamate
PubChem CID142467346
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name[(2E)-2-ethenylpenta-2,4-dienyl] N-(4-hydroxybutan-2-yl)carbamate
SMILESC=C/C=C(\C=C)COC(=O)NC(C)CCO
InChIInChI=1S/C12H19NO3/c1-4-6-11(5-2)9-16-12(15)13-10(3)7-8-14/h4-6,10,14H,1-2,7-9H2,3H3,(H,13,15)/b11-6+
InChIKeyDOIITPPYZYVETA-IZZDOVSWSA-N
XLogP1.78
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(4-hydroxybutan-2-yl)carbamate?
The IUPAC name of [(2E)-2-ethenylpenta-2,4-dienyl] N-(4-hydroxybutan-2-yl)carbamate (CID 142467346) is [(2E)-2-ethenylpenta-2,4-dienyl] N-(4-hydroxybutan-2-yl)carbamate.
What is the SMILES notation for [(2E)-2-ethenylpenta-2,4-dienyl] N-(4-hydroxybutan-2-yl)carbamate?
The canonical SMILES for [(2E)-2-ethenylpenta-2,4-dienyl] N-(4-hydroxybutan-2-yl)carbamate is C=C/C=C(\C=C)COC(=O)NC(C)CCO.
What is the InChIKey of [(2E)-2-ethenylpenta-2,4-dienyl] N-(4-hydroxybutan-2-yl)carbamate?
The InChIKey is DOIITPPYZYVETA-IZZDOVSWSA-N. The full InChI is InChI=1S/C12H19NO3/c1-4-6-11(5-2)9-16-12(15)13-10(3)7-8-14/h4-6,10,14H,1-2,7-9H2,3H3,(H,13,15)/b11-6+.
What are the key properties of [(2E)-2-ethenylpenta-2,4-dienyl] N-(4-hydroxybutan-2-yl)carbamate?
[(2E)-2-ethenylpenta-2,4-dienyl] N-(4-hydroxybutan-2-yl)carbamate has a molecular weight of 225.29 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-2-ethenylpenta-2,4-dienyl] N-(4-hydroxybutan-2-yl)carbamate is sourced from PubChem (CID 142467346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).