1-cyclohexyl-4-nitropyrrolidin-2-one

C10H16N2O3 — CID 152578495

IUPAC1-cyclohexyl-4-nitropyrrolidin-2-one
SMILESO=C1CC([N+](=O)[O-])CN1C1CCCCC1
InChIInChI=1S/C10H16N2O3/c13-10-6-9(12(14)15)7-11(10)8-4-2-1-3-5-8/h8-9H,1-7H2
InChIKeyYSZDCTTUFDZALK-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.20
Rot. Bonds2

About 1-cyclohexyl-4-nitropyrrolidin-2-one

1-cyclohexyl-4-nitropyrrolidin-2-one (PubChem CID 152578495) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-cyclohexyl-4-nitropyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-4-nitropyrrolidin-2-one
PubChem CID152578495
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name1-cyclohexyl-4-nitropyrrolidin-2-one
SMILESO=C1CC([N+](=O)[O-])CN1C1CCCCC1
InChIInChI=1S/C10H16N2O3/c13-10-6-9(12(14)15)7-11(10)8-4-2-1-3-5-8/h8-9H,1-7H2
InChIKeyYSZDCTTUFDZALK-UHFFFAOYSA-N
XLogP1.20
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.20
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-cyclohexyl-4-nitropyrrolidin-2-one?
The IUPAC name of 1-cyclohexyl-4-nitropyrrolidin-2-one (CID 152578495) is 1-cyclohexyl-4-nitropyrrolidin-2-one.
What is the SMILES notation for 1-cyclohexyl-4-nitropyrrolidin-2-one?
The canonical SMILES for 1-cyclohexyl-4-nitropyrrolidin-2-one is O=C1CC([N+](=O)[O-])CN1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-4-nitropyrrolidin-2-one?
The InChIKey is YSZDCTTUFDZALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c13-10-6-9(12(14)15)7-11(10)8-4-2-1-3-5-8/h8-9H,1-7H2.
What are the key properties of 1-cyclohexyl-4-nitropyrrolidin-2-one?
1-cyclohexyl-4-nitropyrrolidin-2-one has a molecular weight of 212.25 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-nitropyrrolidin-2-one is sourced from PubChem (CID 152578495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).