1-cyclohexyl-2-ethyl-4-nitropyrazolidine

C11H21N3O2 — CID 20519774

IUPAC1-cyclohexyl-2-ethyl-4-nitropyrazolidine
SMILESCCN1CC([N+](=O)[O-])CN1C1CCCCC1
InChIInChI=1S/C11H21N3O2/c1-2-12-8-11(14(15)16)9-13(12)10-6-4-3-5-7-10/h10-11H,2-9H2,1H3
InChIKeyVFBFKWKOTGWBRW-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.52
Rot. Bonds3

About 1-cyclohexyl-2-ethyl-4-nitropyrazolidine

1-cyclohexyl-2-ethyl-4-nitropyrazolidine (PubChem CID 20519774) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-cyclohexyl-2-ethyl-4-nitropyrazolidine.

Molecular Properties

Compound Name1-cyclohexyl-2-ethyl-4-nitropyrazolidine
PubChem CID20519774
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name1-cyclohexyl-2-ethyl-4-nitropyrazolidine
SMILESCCN1CC([N+](=O)[O-])CN1C1CCCCC1
InChIInChI=1S/C11H21N3O2/c1-2-12-8-11(14(15)16)9-13(12)10-6-4-3-5-7-10/h10-11H,2-9H2,1H3
InChIKeyVFBFKWKOTGWBRW-UHFFFAOYSA-N
XLogP1.52
TPSA49.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-2-ethyl-4-nitropyrazolidine?
The IUPAC name of 1-cyclohexyl-2-ethyl-4-nitropyrazolidine (CID 20519774) is 1-cyclohexyl-2-ethyl-4-nitropyrazolidine.
What is the SMILES notation for 1-cyclohexyl-2-ethyl-4-nitropyrazolidine?
The canonical SMILES for 1-cyclohexyl-2-ethyl-4-nitropyrazolidine is CCN1CC([N+](=O)[O-])CN1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-ethyl-4-nitropyrazolidine?
The InChIKey is VFBFKWKOTGWBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-2-12-8-11(14(15)16)9-13(12)10-6-4-3-5-7-10/h10-11H,2-9H2,1H3.
What are the key properties of 1-cyclohexyl-2-ethyl-4-nitropyrazolidine?
1-cyclohexyl-2-ethyl-4-nitropyrazolidine has a molecular weight of 227.31 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-ethyl-4-nitropyrazolidine is sourced from PubChem (CID 20519774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).