[(2E)-4-(hydroxymethyl)penta-2,4-dienyl] carbamate

C7H11NO3 — CID 58805106

IUPAC[(2E)-4-(hydroxymethyl)penta-2,4-dienyl] carbamate
SMILESC=C(/C=C/COC(N)=O)CO
InChIInChI=1S/C7H11NO3/c1-6(5-9)3-2-4-11-7(8)10/h2-3,9H,1,4-5H2,(H2,8,10)/b3-2+
InChIKeyFQZNETHSXJKRPE-NSCUHMNNSA-N
MW157.17 g/mol
LogP0.19
Rot. Bonds4

About [(2E)-4-(hydroxymethyl)penta-2,4-dienyl] carbamate

[(2E)-4-(hydroxymethyl)penta-2,4-dienyl] carbamate (PubChem CID 58805106) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is [(2E)-4-(hydroxymethyl)penta-2,4-dienyl] carbamate.

Molecular Properties

Compound Name[(2E)-4-(hydroxymethyl)penta-2,4-dienyl] carbamate
PubChem CID58805106
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name[(2E)-4-(hydroxymethyl)penta-2,4-dienyl] carbamate
SMILESC=C(/C=C/COC(N)=O)CO
InChIInChI=1S/C7H11NO3/c1-6(5-9)3-2-4-11-7(8)10/h2-3,9H,1,4-5H2,(H2,8,10)/b3-2+
InChIKeyFQZNETHSXJKRPE-NSCUHMNNSA-N
XLogP0.19
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.19
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)-4-(hydroxymethyl)penta-2,4-dienyl] carbamate?
The IUPAC name of [(2E)-4-(hydroxymethyl)penta-2,4-dienyl] carbamate (CID 58805106) is [(2E)-4-(hydroxymethyl)penta-2,4-dienyl] carbamate.
What is the SMILES notation for [(2E)-4-(hydroxymethyl)penta-2,4-dienyl] carbamate?
The canonical SMILES for [(2E)-4-(hydroxymethyl)penta-2,4-dienyl] carbamate is C=C(/C=C/COC(N)=O)CO.
What is the InChIKey of [(2E)-4-(hydroxymethyl)penta-2,4-dienyl] carbamate?
The InChIKey is FQZNETHSXJKRPE-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H11NO3/c1-6(5-9)3-2-4-11-7(8)10/h2-3,9H,1,4-5H2,(H2,8,10)/b3-2+.
What are the key properties of [(2E)-4-(hydroxymethyl)penta-2,4-dienyl] carbamate?
[(2E)-4-(hydroxymethyl)penta-2,4-dienyl] carbamate has a molecular weight of 157.17 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-4-(hydroxymethyl)penta-2,4-dienyl] carbamate is sourced from PubChem (CID 58805106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).