[(2Z)-2-bromocyclonon-2-en-1-yl] nitrate

C9H14BrNO3 — CID 131855959

IUPAC[(2Z)-2-bromocyclonon-2-en-1-yl] nitrate
SMILESO=[N+]([O-])OC1CCCCCC/C=C/1Br
InChIInChI=1S/C9H14BrNO3/c10-8-6-4-2-1-3-5-7-9(8)14-11(12)13/h6,9H,1-5,7H2/b8-6-
InChIKeyNCSMRXMDZQDSOS-VURMDHGXSA-N
MW264.12 g/mol
LogP3.20
Rot. Bonds2

About [(2Z)-2-bromocyclonon-2-en-1-yl] nitrate

[(2Z)-2-bromocyclonon-2-en-1-yl] nitrate (PubChem CID 131855959) has the molecular formula C9H14BrNO3 and a molecular weight of 264.12 g/mol. Its IUPAC name is [(2Z)-2-bromocyclonon-2-en-1-yl] nitrate.

Molecular Properties

Compound Name[(2Z)-2-bromocyclonon-2-en-1-yl] nitrate
PubChem CID131855959
Molecular FormulaC9H14BrNO3
Molecular Weight264.12 g/mol
Exact Mass263.02
IUPAC Name[(2Z)-2-bromocyclonon-2-en-1-yl] nitrate
SMILESO=[N+]([O-])OC1CCCCCC/C=C/1Br
InChIInChI=1S/C9H14BrNO3/c10-8-6-4-2-1-3-5-7-9(8)14-11(12)13/h6,9H,1-5,7H2/b8-6-
InChIKeyNCSMRXMDZQDSOS-VURMDHGXSA-N
XLogP3.20
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.12
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1Z)-1-bromo-12-methoxycyclododecene
CID 177447316
(1Z)-1-bromo-10-methoxycyclodecene
CID 177447213
cyclododecyl nitrate
CID 13304339
(8R)-1,8-dibromocyclooctene
CID 129408234
(2-oxoazepan-3-yl) nitrate
CID 134716136
2-bromocyclohex-2-en-1-olate
CID 135037886
(2-nitrooxycyclopentyl) nitrate
CID 90699417
2-(2-bromocyclohex-2-en-1-yl)ethanol
CID 11769633
cyclohexyloxy nitrate
CID 100959003
1-nitrocyclooctene
CID 54042772
6-(methoxymethoxy)-1-nitrocyclohexene
CID 542393
cyclonon-2-en-1-ol;nitric acid
CID 71400030

Frequently Asked Questions

What is the IUPAC name of [(2Z)-2-bromocyclonon-2-en-1-yl] nitrate?
The IUPAC name of [(2Z)-2-bromocyclonon-2-en-1-yl] nitrate (CID 131855959) is [(2Z)-2-bromocyclonon-2-en-1-yl] nitrate.
What is the SMILES notation for [(2Z)-2-bromocyclonon-2-en-1-yl] nitrate?
The canonical SMILES for [(2Z)-2-bromocyclonon-2-en-1-yl] nitrate is O=[N+]([O-])OC1CCCCCC/C=C/1Br.
What is the InChIKey of [(2Z)-2-bromocyclonon-2-en-1-yl] nitrate?
The InChIKey is NCSMRXMDZQDSOS-VURMDHGXSA-N. The full InChI is InChI=1S/C9H14BrNO3/c10-8-6-4-2-1-3-5-7-9(8)14-11(12)13/h6,9H,1-5,7H2/b8-6-.
What are the key properties of [(2Z)-2-bromocyclonon-2-en-1-yl] nitrate?
[(2Z)-2-bromocyclonon-2-en-1-yl] nitrate has a molecular weight of 264.12 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-2-bromocyclonon-2-en-1-yl] nitrate is sourced from PubChem (CID 131855959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).