8-nitro-2,3,4,6-tetrahydro-1H-cyclohepta[c]pyridine

C10H12N2O2 — CID 143161754

IUPAC8-nitro-2,3,4,6-tetrahydro-1H-cyclohepta[c]pyridine
SMILESO=[N+]([O-])C1=CCC=C2CCNCC2=C1
InChIInChI=1S/C10H12N2O2/c13-12(14)10-3-1-2-8-4-5-11-7-9(8)6-10/h2-3,6,11H,1,4-5,7H2
InChIKeyPALYNHBZPZBKNA-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.40
Rot. Bonds1

About 8-nitro-2,3,4,6-tetrahydro-1H-cyclohepta[c]pyridine

8-nitro-2,3,4,6-tetrahydro-1H-cyclohepta[c]pyridine (PubChem CID 143161754) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 8-nitro-2,3,4,6-tetrahydro-1H-cyclohepta[c]pyridine.

Molecular Properties

Compound Name8-nitro-2,3,4,6-tetrahydro-1H-cyclohepta[c]pyridine
PubChem CID143161754
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name8-nitro-2,3,4,6-tetrahydro-1H-cyclohepta[c]pyridine
SMILESO=[N+]([O-])C1=CCC=C2CCNCC2=C1
InChIInChI=1S/C10H12N2O2/c13-12(14)10-3-1-2-8-4-5-11-7-9(8)6-10/h2-3,6,11H,1,4-5,7H2
InChIKeyPALYNHBZPZBKNA-UHFFFAOYSA-N
XLogP1.40
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.40
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 8-nitro-2,3,4,6-tetrahydro-1H-cyclohepta[c]pyridine?
The IUPAC name of 8-nitro-2,3,4,6-tetrahydro-1H-cyclohepta[c]pyridine (CID 143161754) is 8-nitro-2,3,4,6-tetrahydro-1H-cyclohepta[c]pyridine.
What is the SMILES notation for 8-nitro-2,3,4,6-tetrahydro-1H-cyclohepta[c]pyridine?
The canonical SMILES for 8-nitro-2,3,4,6-tetrahydro-1H-cyclohepta[c]pyridine is O=[N+]([O-])C1=CCC=C2CCNCC2=C1.
What is the InChIKey of 8-nitro-2,3,4,6-tetrahydro-1H-cyclohepta[c]pyridine?
The InChIKey is PALYNHBZPZBKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c13-12(14)10-3-1-2-8-4-5-11-7-9(8)6-10/h2-3,6,11H,1,4-5,7H2.
What are the key properties of 8-nitro-2,3,4,6-tetrahydro-1H-cyclohepta[c]pyridine?
8-nitro-2,3,4,6-tetrahydro-1H-cyclohepta[c]pyridine has a molecular weight of 192.22 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-nitro-2,3,4,6-tetrahydro-1H-cyclohepta[c]pyridine is sourced from PubChem (CID 143161754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).