(2S)-1-nitroso-2-(phenylmethoxymethyl)pyrrolidine

C12H16N2O2 — CID 10421017

IUPAC(2S)-1-nitroso-2-(phenylmethoxymethyl)pyrrolidine
SMILESO=NN1CCC[C@H]1COCc1ccccc1
InChIInChI=1S/C12H16N2O2/c15-13-14-8-4-7-12(14)10-16-9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2/t12-/m0/s1
InChIKeyLEZQNKFMCRBEOL-LBPRGKRZSA-N
MW220.27 g/mol
LogP2.35
Rot. Bonds5

About (2S)-1-nitroso-2-(phenylmethoxymethyl)pyrrolidine

(2S)-1-nitroso-2-(phenylmethoxymethyl)pyrrolidine (PubChem CID 10421017) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (2S)-1-nitroso-2-(phenylmethoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-1-nitroso-2-(phenylmethoxymethyl)pyrrolidine
PubChem CID10421017
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(2S)-1-nitroso-2-(phenylmethoxymethyl)pyrrolidine
SMILESO=NN1CCC[C@H]1COCc1ccccc1
InChIInChI=1S/C12H16N2O2/c15-13-14-8-4-7-12(14)10-16-9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2/t12-/m0/s1
InChIKeyLEZQNKFMCRBEOL-LBPRGKRZSA-N
XLogP2.35
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-nitroso-2-(phenylmethoxymethyl)pyrrolidine?
The IUPAC name of (2S)-1-nitroso-2-(phenylmethoxymethyl)pyrrolidine (CID 10421017) is (2S)-1-nitroso-2-(phenylmethoxymethyl)pyrrolidine.
What is the SMILES notation for (2S)-1-nitroso-2-(phenylmethoxymethyl)pyrrolidine?
The canonical SMILES for (2S)-1-nitroso-2-(phenylmethoxymethyl)pyrrolidine is O=NN1CCC[C@H]1COCc1ccccc1.
What is the InChIKey of (2S)-1-nitroso-2-(phenylmethoxymethyl)pyrrolidine?
The InChIKey is LEZQNKFMCRBEOL-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-13-14-8-4-7-12(14)10-16-9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2/t12-/m0/s1.
What are the key properties of (2S)-1-nitroso-2-(phenylmethoxymethyl)pyrrolidine?
(2S)-1-nitroso-2-(phenylmethoxymethyl)pyrrolidine has a molecular weight of 220.27 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-nitroso-2-(phenylmethoxymethyl)pyrrolidine is sourced from PubChem (CID 10421017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).