1-(2-nitrocyclohexyl)pyrrolidine

C10H18N2O2 — CID 134896675

IUPAC1-(2-nitrocyclohexyl)pyrrolidine
SMILESO=[N+]([O-])C1CCCCC1N1CCCC1
InChIInChI=1S/C10H18N2O2/c13-12(14)10-6-2-1-5-9(10)11-7-3-4-8-11/h9-10H,1-8H2
InChIKeyAXMLGPNRALEDFX-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.67
Rot. Bonds2

About 1-(2-nitrocyclohexyl)pyrrolidine

1-(2-nitrocyclohexyl)pyrrolidine (PubChem CID 134896675) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-(2-nitrocyclohexyl)pyrrolidine.

Molecular Properties

Compound Name1-(2-nitrocyclohexyl)pyrrolidine
PubChem CID134896675
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-(2-nitrocyclohexyl)pyrrolidine
SMILESO=[N+]([O-])C1CCCCC1N1CCCC1
InChIInChI=1S/C10H18N2O2/c13-12(14)10-6-2-1-5-9(10)11-7-3-4-8-11/h9-10H,1-8H2
InChIKeyAXMLGPNRALEDFX-UHFFFAOYSA-N
XLogP1.67
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.67
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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Related Compounds

1,2-Dicyclohexyl-4-nitropyrazolidine
CID 20519752
1-Cyclohexyl-2-ethyl-4-nitropyrazolidine
CID 20519774
1-Cyclohexyl-2-methyl-4-nitropyrazolidine
CID 20519815
1-Methyl-4-(2-nitrocyclohexyl)piperazine
CID 59088742
2-Methyl-1-(4-nitrocyclohexyl)pyrrolidine
CID 140435500
1-[(2S)-2-nitrocyclohexyl]-4-propan-2-ylpiperazine
CID 163476993
1-(2-Nitrocyclohexyl)azocane
CID 163524985
1-[(1S,2S)-2-nitrocyclohexyl]-4-propan-2-ylpiperazine
CID 164785143
N,N-bis(2-nitroethyl)cyclohexanamine
CID 15140897
1-Methyl-2-(1-nitroethyl)pyrrolidine
CID 105430947
1-Cyclohexyl-2-ethyl-4-nitropyrrolidine
CID 159942014
7-(2-Methyl-2-nitropropyl)-7-azabicyclo[2.2.1]heptane
CID 168017692

Frequently Asked Questions

What is the IUPAC name of 1-(2-nitrocyclohexyl)pyrrolidine?
The IUPAC name of 1-(2-nitrocyclohexyl)pyrrolidine (CID 134896675) is 1-(2-nitrocyclohexyl)pyrrolidine.
What is the SMILES notation for 1-(2-nitrocyclohexyl)pyrrolidine?
The canonical SMILES for 1-(2-nitrocyclohexyl)pyrrolidine is O=[N+]([O-])C1CCCCC1N1CCCC1.
What is the InChIKey of 1-(2-nitrocyclohexyl)pyrrolidine?
The InChIKey is AXMLGPNRALEDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c13-12(14)10-6-2-1-5-9(10)11-7-3-4-8-11/h9-10H,1-8H2.
What are the key properties of 1-(2-nitrocyclohexyl)pyrrolidine?
1-(2-nitrocyclohexyl)pyrrolidine has a molecular weight of 198.27 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitrocyclohexyl)pyrrolidine is sourced from PubChem (CID 134896675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).