5-(2-nitrosoethoxy)pent-2-ene

C7H13NO2 — CID 91315143

IUPAC5-(2-nitrosoethoxy)pent-2-ene
SMILESCC=CCCOCCN=O
InChIInChI=1S/C7H13NO2/c1-2-3-4-6-10-7-5-8-9/h2-3H,4-7H2,1H3
InChIKeyZOPJBLSWPSPMSC-UHFFFAOYSA-N
MW143.19 g/mol
LogP1.74
Rot. Bonds6

About 5-(2-nitrosoethoxy)pent-2-ene

5-(2-nitrosoethoxy)pent-2-ene (PubChem CID 91315143) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 5-(2-nitrosoethoxy)pent-2-ene.

Molecular Properties

Compound Name5-(2-nitrosoethoxy)pent-2-ene
PubChem CID91315143
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name5-(2-nitrosoethoxy)pent-2-ene
SMILESCC=CCCOCCN=O
InChIInChI=1S/C7H13NO2/c1-2-3-4-6-10-7-5-8-9/h2-3H,4-7H2,1H3
InChIKeyZOPJBLSWPSPMSC-UHFFFAOYSA-N
XLogP1.74
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-nitrosoethoxy)pent-2-ene?
The IUPAC name of 5-(2-nitrosoethoxy)pent-2-ene (CID 91315143) is 5-(2-nitrosoethoxy)pent-2-ene.
What is the SMILES notation for 5-(2-nitrosoethoxy)pent-2-ene?
The canonical SMILES for 5-(2-nitrosoethoxy)pent-2-ene is CC=CCCOCCN=O.
What is the InChIKey of 5-(2-nitrosoethoxy)pent-2-ene?
The InChIKey is ZOPJBLSWPSPMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-2-3-4-6-10-7-5-8-9/h2-3H,4-7H2,1H3.
What are the key properties of 5-(2-nitrosoethoxy)pent-2-ene?
5-(2-nitrosoethoxy)pent-2-ene has a molecular weight of 143.19 g/mol, XLogP of 1.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-nitrosoethoxy)pent-2-ene is sourced from PubChem (CID 91315143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).