5-nitrosobicyclo[2.2.1]hept-2-ene

C7H9NO — CID 121441099

IUPAC5-nitrosobicyclo[2.2.1]hept-2-ene
SMILESO=NC1CC2C=CC1C2
InChIInChI=1S/C7H9NO/c9-8-7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4H2
InChIKeyBHRKMLABKCZQFI-UHFFFAOYSA-N
MW123.15 g/mol
LogP1.72
Rot. Bonds1

About 5-nitrosobicyclo[2.2.1]hept-2-ene

5-nitrosobicyclo[2.2.1]hept-2-ene (PubChem CID 121441099) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 5-nitrosobicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-nitrosobicyclo[2.2.1]hept-2-ene
PubChem CID121441099
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name5-nitrosobicyclo[2.2.1]hept-2-ene
SMILESO=NC1CC2C=CC1C2
InChIInChI=1S/C7H9NO/c9-8-7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4H2
InChIKeyBHRKMLABKCZQFI-UHFFFAOYSA-N
XLogP1.72
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-nitrosobicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-nitrosobicyclo[2.2.1]hept-2-ene (CID 121441099) is 5-nitrosobicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-nitrosobicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-nitrosobicyclo[2.2.1]hept-2-ene is O=NC1CC2C=CC1C2.
What is the InChIKey of 5-nitrosobicyclo[2.2.1]hept-2-ene?
The InChIKey is BHRKMLABKCZQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c9-8-7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4H2.
What are the key properties of 5-nitrosobicyclo[2.2.1]hept-2-ene?
5-nitrosobicyclo[2.2.1]hept-2-ene has a molecular weight of 123.15 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitrosobicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 121441099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).