6-nitro-6-phenyl-2,3,5,7,8,8a-hexahydro-1H-indolizine

C14H18N2O2 — CID 58567903

IUPAC6-nitro-6-phenyl-2,3,5,7,8,8a-hexahydro-1H-indolizine
SMILESO=[N+]([O-])C1(c2ccccc2)CCC2CCCN2C1
InChIInChI=1S/C14H18N2O2/c17-16(18)14(12-5-2-1-3-6-12)9-8-13-7-4-10-15(13)11-14/h1-3,5-6,13H,4,7-11H2
InChIKeyDDXFLZNPVAJFQN-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.42
Rot. Bonds2

About 6-nitro-6-phenyl-2,3,5,7,8,8a-hexahydro-1H-indolizine

6-nitro-6-phenyl-2,3,5,7,8,8a-hexahydro-1H-indolizine (PubChem CID 58567903) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 6-nitro-6-phenyl-2,3,5,7,8,8a-hexahydro-1H-indolizine.

Molecular Properties

Compound Name6-nitro-6-phenyl-2,3,5,7,8,8a-hexahydro-1H-indolizine
PubChem CID58567903
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name6-nitro-6-phenyl-2,3,5,7,8,8a-hexahydro-1H-indolizine
SMILESO=[N+]([O-])C1(c2ccccc2)CCC2CCCN2C1
InChIInChI=1S/C14H18N2O2/c17-16(18)14(12-5-2-1-3-6-12)9-8-13-7-4-10-15(13)11-14/h1-3,5-6,13H,4,7-11H2
InChIKeyDDXFLZNPVAJFQN-UHFFFAOYSA-N
XLogP2.42
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.42
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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Frequently Asked Questions

What is the IUPAC name of 6-nitro-6-phenyl-2,3,5,7,8,8a-hexahydro-1H-indolizine?
The IUPAC name of 6-nitro-6-phenyl-2,3,5,7,8,8a-hexahydro-1H-indolizine (CID 58567903) is 6-nitro-6-phenyl-2,3,5,7,8,8a-hexahydro-1H-indolizine.
What is the SMILES notation for 6-nitro-6-phenyl-2,3,5,7,8,8a-hexahydro-1H-indolizine?
The canonical SMILES for 6-nitro-6-phenyl-2,3,5,7,8,8a-hexahydro-1H-indolizine is O=[N+]([O-])C1(c2ccccc2)CCC2CCCN2C1.
What is the InChIKey of 6-nitro-6-phenyl-2,3,5,7,8,8a-hexahydro-1H-indolizine?
The InChIKey is DDXFLZNPVAJFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-16(18)14(12-5-2-1-3-6-12)9-8-13-7-4-10-15(13)11-14/h1-3,5-6,13H,4,7-11H2.
What are the key properties of 6-nitro-6-phenyl-2,3,5,7,8,8a-hexahydro-1H-indolizine?
6-nitro-6-phenyl-2,3,5,7,8,8a-hexahydro-1H-indolizine has a molecular weight of 246.31 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-6-phenyl-2,3,5,7,8,8a-hexahydro-1H-indolizine is sourced from PubChem (CID 58567903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).