cyclohexyl-[(2S)-2-(nitrosomethyl)pyrrolidin-1-yl]methanone

C12H20N2O2 — CID 89308025

IUPACcyclohexyl-[(2S)-2-(nitrosomethyl)pyrrolidin-1-yl]methanone
SMILESO=NC[C@@H]1CCCN1C(=O)C1CCCCC1
InChIInChI=1S/C12H20N2O2/c15-12(10-5-2-1-3-6-10)14-8-4-7-11(14)9-13-16/h10-11H,1-9H2/t11-/m0/s1
InChIKeyAAOZYBIGQIWRPD-NSHDSACASA-N
MW224.30 g/mol
LogP2.32
Rot. Bonds3

About cyclohexyl-[(2S)-2-(nitrosomethyl)pyrrolidin-1-yl]methanone

cyclohexyl-[(2S)-2-(nitrosomethyl)pyrrolidin-1-yl]methanone (PubChem CID 89308025) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is cyclohexyl-[(2S)-2-(nitrosomethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[(2S)-2-(nitrosomethyl)pyrrolidin-1-yl]methanone
PubChem CID89308025
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Namecyclohexyl-[(2S)-2-(nitrosomethyl)pyrrolidin-1-yl]methanone
SMILESO=NC[C@@H]1CCCN1C(=O)C1CCCCC1
InChIInChI=1S/C12H20N2O2/c15-12(10-5-2-1-3-6-10)14-8-4-7-11(14)9-13-16/h10-11H,1-9H2/t11-/m0/s1
InChIKeyAAOZYBIGQIWRPD-NSHDSACASA-N
XLogP2.32
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(nitrosomethyl)azepane-1-carbothioamide
CID 89049391
[2-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119261191
cyclopentyl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79030199
[2-(chloromethyl)piperidin-1-yl]-cyclohexylmethanone
CID 63395604
cyclopentyl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636172
cyclohexyl-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 798108
[2-(bromomethyl)piperidin-1-yl]-cyclooctylmethanone
CID 80660817
cyclohexyl-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 110869949
[2-(2-aminoethyl)piperidin-1-yl]-cyclohexylmethanone
CID 63755194
1-[1-(cycloheptanecarbonyl)azepan-2-yl]propan-2-one
CID 79553595
[2-(3-bromopropyl)pyrrolidin-1-yl]-cyclopentylmethanone
CID 80676795
cyclooctyl-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 65023261

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(2S)-2-(nitrosomethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[(2S)-2-(nitrosomethyl)pyrrolidin-1-yl]methanone (CID 89308025) is cyclohexyl-[(2S)-2-(nitrosomethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[(2S)-2-(nitrosomethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[(2S)-2-(nitrosomethyl)pyrrolidin-1-yl]methanone is O=NC[C@@H]1CCCN1C(=O)C1CCCCC1.
What is the InChIKey of cyclohexyl-[(2S)-2-(nitrosomethyl)pyrrolidin-1-yl]methanone?
The InChIKey is AAOZYBIGQIWRPD-NSHDSACASA-N. The full InChI is InChI=1S/C12H20N2O2/c15-12(10-5-2-1-3-6-10)14-8-4-7-11(14)9-13-16/h10-11H,1-9H2/t11-/m0/s1.
What are the key properties of cyclohexyl-[(2S)-2-(nitrosomethyl)pyrrolidin-1-yl]methanone?
cyclohexyl-[(2S)-2-(nitrosomethyl)pyrrolidin-1-yl]methanone has a molecular weight of 224.30 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(2S)-2-(nitrosomethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 89308025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).