2-bicyclo[2.2.1]heptanyl nitrate

C7H11NO3 — CID 12594107

IUPAC2-bicyclo[2.2.1]heptanyl nitrate
SMILESO=[N+]([O-])OC1CC2CCC1C2
InChIInChI=1S/C7H11NO3/c9-8(10)11-7-4-5-1-2-6(7)3-5/h5-7H,1-4H2
InChIKeyRNSXZTMMFHTFAT-UHFFFAOYSA-N
MW157.17 g/mol
LogP1.38
Rot. Bonds2

About 2-bicyclo[2.2.1]heptanyl nitrate

2-bicyclo[2.2.1]heptanyl nitrate (PubChem CID 12594107) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl nitrate.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyl nitrate
PubChem CID12594107
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name2-bicyclo[2.2.1]heptanyl nitrate
SMILESO=[N+]([O-])OC1CC2CCC1C2
InChIInChI=1S/C7H11NO3/c9-8(10)11-7-4-5-1-2-6(7)3-5/h5-7H,1-4H2
InChIKeyRNSXZTMMFHTFAT-UHFFFAOYSA-N
XLogP1.38
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 51.38
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

2-(2-bicyclo[2.2.1]heptanyloxy)bicyclo[2.2.1]heptane
CID 22404545
2-(2,2-dinitropropoxy)bicyclo[2.2.1]heptane
CID 85256238
(2-nitrooxycyclopentyl) nitrate
CID 90699417
2-bicyclo[2.2.1]heptanyloxymethanedithioic acid
CID 511673
[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl] formate
CID 98108160
(1S,2S,5S)-2-(4-nitrophenoxy)bicyclo[3.2.1]octane
CID 11859471
(4-methyl-2-nitrooxycyclopentyl) nitrate
CID 143811821
[(1S,2S,4S,5S)-2,4-dihydroxy-5-nitrooxycyclohexyl] nitrate
CID 46888472
4-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-oxobutanoate
CID 11859572
4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]oxy]-4-oxobutanoate
CID 18389358
N-(2-bicyclo[2.2.1]heptanyloxy)-N-methylmethanamine
CID 76852044
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-N-methylmethanamine
CID 99908285

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyl nitrate?
The IUPAC name of 2-bicyclo[2.2.1]heptanyl nitrate (CID 12594107) is 2-bicyclo[2.2.1]heptanyl nitrate.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl nitrate?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyl nitrate is O=[N+]([O-])OC1CC2CCC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyl nitrate?
The InChIKey is RNSXZTMMFHTFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c9-8(10)11-7-4-5-1-2-6(7)3-5/h5-7H,1-4H2.
What are the key properties of 2-bicyclo[2.2.1]heptanyl nitrate?
2-bicyclo[2.2.1]heptanyl nitrate has a molecular weight of 157.17 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanyl nitrate is sourced from PubChem (CID 12594107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).