5-nitro-3-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene

C10H10N2O2 — CID 14297058

IUPAC5-nitro-3-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
SMILESO=[N+]([O-])c1cnc2c(c1)C1CCC2C1
InChIInChI=1S/C10H10N2O2/c13-12(14)8-4-9-6-1-2-7(3-6)10(9)11-5-8/h4-7H,1-3H2
InChIKeyWZSVDVYYDZSAOZ-UHFFFAOYSA-N
MW190.20 g/mol
LogP2.35
Rot. Bonds1

About 5-nitro-3-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene

5-nitro-3-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene (PubChem CID 14297058) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 5-nitro-3-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene.

Molecular Properties

Compound Name5-nitro-3-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
PubChem CID14297058
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name5-nitro-3-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
SMILESO=[N+]([O-])c1cnc2c(c1)C1CCC2C1
InChIInChI=1S/C10H10N2O2/c13-12(14)8-4-9-6-1-2-7(3-6)10(9)11-5-8/h4-7H,1-3H2
InChIKeyWZSVDVYYDZSAOZ-UHFFFAOYSA-N
XLogP2.35
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 52.35
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

3-cyclopropyl-2-(2-methoxyethoxy)-5-nitropyridine
CID 68620062
bis[2-[3-(2-aminopyrimidin-5-yl)cyclopentyl]-4-nitrophenyl] carbonate
CID 177305894
2-chloro-4-cyclopropyl-5-nitropyridine
CID 168888744
(6R,9R)-6-methyl-3-nitro-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
CID 143877101
3-bromo-2-methoxy-5-nitropyridine;3-cyclopropyl-2-methoxy-5-nitropyridine;5-cyclopropyl-6-methoxypyridin-3-amine
CID 158990444
2-cyclopropyl-4-nitrophenol
CID 58858109
N-(cyclopropylmethyl)-3,5-dinitropyridin-2-amine
CID 22181365
2-cyclopentyl-5-nitropyridine
CID 58049556
13-chloro-6-nitro-2-piperidin-4-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
CID 59047052
N-[(3-methylcyclopentyl)methyl]-5-nitropyrimidin-2-amine
CID 107414046
N-cycloheptyl-3,5-dinitropyridin-2-amine
CID 71836620
6-methyl-3-nitro-5,6,7,8-tetrahydroquinoline
CID 15462861

Frequently Asked Questions

What is the IUPAC name of 5-nitro-3-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene?
The IUPAC name of 5-nitro-3-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene (CID 14297058) is 5-nitro-3-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene.
What is the SMILES notation for 5-nitro-3-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene?
The canonical SMILES for 5-nitro-3-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene is O=[N+]([O-])c1cnc2c(c1)C1CCC2C1.
What is the InChIKey of 5-nitro-3-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene?
The InChIKey is WZSVDVYYDZSAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c13-12(14)8-4-9-6-1-2-7(3-6)10(9)11-5-8/h4-7H,1-3H2.
What are the key properties of 5-nitro-3-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene?
5-nitro-3-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene has a molecular weight of 190.20 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-3-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene is sourced from PubChem (CID 14297058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).