(2-nitrooxycyclopentyl) nitrate

C5H8N2O6 — CID 90699417

IUPAC(2-nitrooxycyclopentyl) nitrate
SMILESO=[N+]([O-])OC1CCCC1O[N+](=O)[O-]
InChIInChI=1S/C5H8N2O6/c8-6(9)12-4-2-1-3-5(4)13-7(10)11/h4-5H,1-3H2
InChIKeyFBRJDEBTXXMSKK-UHFFFAOYSA-N
MW192.13 g/mol
LogP0.32
Rot. Bonds4

About (2-nitrooxycyclopentyl) nitrate

(2-nitrooxycyclopentyl) nitrate (PubChem CID 90699417) has the molecular formula C5H8N2O6 and a molecular weight of 192.13 g/mol. Its IUPAC name is (2-nitrooxycyclopentyl) nitrate.

Molecular Properties

Compound Name(2-nitrooxycyclopentyl) nitrate
PubChem CID90699417
Molecular FormulaC5H8N2O6
Molecular Weight192.13 g/mol
Exact Mass192.04
IUPAC Name(2-nitrooxycyclopentyl) nitrate
SMILESO=[N+]([O-])OC1CCCC1O[N+](=O)[O-]
InChIInChI=1S/C5H8N2O6/c8-6(9)12-4-2-1-3-5(4)13-7(10)11/h4-5H,1-3H2
InChIKeyFBRJDEBTXXMSKK-UHFFFAOYSA-N
XLogP0.32
TPSA104.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.13
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-oxoethyl)cyclohexyl] nitrate
CID 173397282
cyclododecyl nitrate
CID 13304339
(4-methyl-2-nitrooxycyclopentyl) nitrate
CID 143811821
[(1S,2S,4S,5S)-2,4-dihydroxy-5-nitrooxycyclohexyl] nitrate
CID 46888472
(4-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl) nitrate
CID 70432625
(2-nitrooxyoxolan-3-yl) nitrate
CID 87368612
2-bicyclo[2.2.1]heptanyl nitrate
CID 12594107
[(6aR)-3-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate
CID 16757692
[(3S,3aS,6R,6aR)-3-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate
CID 13019155
[(1R,2R)-2-[(2-amino-2-methylpropanoyl)amino]cyclohexyl] nitrate
CID 14799069
[(1R,2R)-2-nitrooxy-4-propan-2-ylcyclopentyl] nitrate
CID 88572064
(4-bromooxan-3-yl) nitrate
CID 54064855

Frequently Asked Questions

What is the IUPAC name of (2-nitrooxycyclopentyl) nitrate?
The IUPAC name of (2-nitrooxycyclopentyl) nitrate (CID 90699417) is (2-nitrooxycyclopentyl) nitrate.
What is the SMILES notation for (2-nitrooxycyclopentyl) nitrate?
The canonical SMILES for (2-nitrooxycyclopentyl) nitrate is O=[N+]([O-])OC1CCCC1O[N+](=O)[O-].
What is the InChIKey of (2-nitrooxycyclopentyl) nitrate?
The InChIKey is FBRJDEBTXXMSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O6/c8-6(9)12-4-2-1-3-5(4)13-7(10)11/h4-5H,1-3H2.
What are the key properties of (2-nitrooxycyclopentyl) nitrate?
(2-nitrooxycyclopentyl) nitrate has a molecular weight of 192.13 g/mol, XLogP of 0.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-nitrooxycyclopentyl) nitrate is sourced from PubChem (CID 90699417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).