1-(2-methylpropyl)-2-(nitromethylidene)pyrrolidine

C9H16N2O2 — CID 154264514

IUPAC1-(2-methylpropyl)-2-(nitromethylidene)pyrrolidine
SMILESCC(C)CN1CCCC1=C[N+](=O)[O-]
InChIInChI=1S/C9H16N2O2/c1-8(2)6-10-5-3-4-9(10)7-11(12)13/h7-8H,3-6H2,1-2H3
InChIKeyIFZXEHDXKNJASB-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.86
Rot. Bonds3

About 1-(2-methylpropyl)-2-(nitromethylidene)pyrrolidine

1-(2-methylpropyl)-2-(nitromethylidene)pyrrolidine (PubChem CID 154264514) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-(2-methylpropyl)-2-(nitromethylidene)pyrrolidine.

Molecular Properties

Compound Name1-(2-methylpropyl)-2-(nitromethylidene)pyrrolidine
PubChem CID154264514
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-(2-methylpropyl)-2-(nitromethylidene)pyrrolidine
SMILESCC(C)CN1CCCC1=C[N+](=O)[O-]
InChIInChI=1S/C9H16N2O2/c1-8(2)6-10-5-3-4-9(10)7-11(12)13/h7-8H,3-6H2,1-2H3
InChIKeyIFZXEHDXKNJASB-UHFFFAOYSA-N
XLogP1.86
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.86
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 1-(2-methylpropyl)-2-(nitromethylidene)pyrrolidine?
The IUPAC name of 1-(2-methylpropyl)-2-(nitromethylidene)pyrrolidine (CID 154264514) is 1-(2-methylpropyl)-2-(nitromethylidene)pyrrolidine.
What is the SMILES notation for 1-(2-methylpropyl)-2-(nitromethylidene)pyrrolidine?
The canonical SMILES for 1-(2-methylpropyl)-2-(nitromethylidene)pyrrolidine is CC(C)CN1CCCC1=C[N+](=O)[O-].
What is the InChIKey of 1-(2-methylpropyl)-2-(nitromethylidene)pyrrolidine?
The InChIKey is IFZXEHDXKNJASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-8(2)6-10-5-3-4-9(10)7-11(12)13/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-2-(nitromethylidene)pyrrolidine?
1-(2-methylpropyl)-2-(nitromethylidene)pyrrolidine has a molecular weight of 184.24 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-2-(nitromethylidene)pyrrolidine is sourced from PubChem (CID 154264514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).