2,8-dimethyl-1-nitroindolizine

C10H10N2O2 — CID 605379

IUPAC2,8-dimethyl-1-nitroindolizine
SMILESCc1cn2cccc(C)c2c1[N+](=O)[O-]
InChIInChI=1S/C10H10N2O2/c1-7-4-3-5-11-6-8(2)10(9(7)11)12(13)14/h3-6H,1-2H3
InChIKeyJZJWGHXVJDAAPR-UHFFFAOYSA-N
MW190.20 g/mol
LogP2.46
Rot. Bonds1

About 2,8-dimethyl-1-nitroindolizine

2,8-dimethyl-1-nitroindolizine (PubChem CID 605379) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2,8-dimethyl-1-nitroindolizine.

Molecular Properties

Compound Name2,8-dimethyl-1-nitroindolizine
PubChem CID605379
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name2,8-dimethyl-1-nitroindolizine
SMILESCc1cn2cccc(C)c2c1[N+](=O)[O-]
InChIInChI=1S/C10H10N2O2/c1-7-4-3-5-11-6-8(2)10(9(7)11)12(13)14/h3-6H,1-2H3
InChIKeyJZJWGHXVJDAAPR-UHFFFAOYSA-N
XLogP2.46
TPSA47.55 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 ≤ 52.46
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 2,8-dimethyl-1-nitroindolizine?
The IUPAC name of 2,8-dimethyl-1-nitroindolizine (CID 605379) is 2,8-dimethyl-1-nitroindolizine.
What is the SMILES notation for 2,8-dimethyl-1-nitroindolizine?
The canonical SMILES for 2,8-dimethyl-1-nitroindolizine is Cc1cn2cccc(C)c2c1[N+](=O)[O-].
What is the InChIKey of 2,8-dimethyl-1-nitroindolizine?
The InChIKey is JZJWGHXVJDAAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-7-4-3-5-11-6-8(2)10(9(7)11)12(13)14/h3-6H,1-2H3.
What are the key properties of 2,8-dimethyl-1-nitroindolizine?
2,8-dimethyl-1-nitroindolizine has a molecular weight of 190.20 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-1-nitroindolizine is sourced from PubChem (CID 605379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).