(2R)-2-ethyl-1-nitrosopyrrolidine

C6H12N2O — CID 167189288

IUPAC(2R)-2-ethyl-1-nitrosopyrrolidine
SMILESCC[C@@H]1CCCN1N=O
InChIInChI=1S/C6H12N2O/c1-2-6-4-3-5-8(6)7-9/h6H,2-5H2,1H3/t6-/m1/s1
InChIKeyYABAXRKRCVWXSP-ZCFIWIBFSA-N
MW128.18 g/mol
LogP1.54
Rot. Bonds2

About (2R)-2-ethyl-1-nitrosopyrrolidine

(2R)-2-ethyl-1-nitrosopyrrolidine (PubChem CID 167189288) has the molecular formula C6H12N2O and a molecular weight of 128.18 g/mol. Its IUPAC name is (2R)-2-ethyl-1-nitrosopyrrolidine.

Molecular Properties

Compound Name(2R)-2-ethyl-1-nitrosopyrrolidine
PubChem CID167189288
Molecular FormulaC6H12N2O
Molecular Weight128.18 g/mol
Exact Mass128.09
IUPAC Name(2R)-2-ethyl-1-nitrosopyrrolidine
SMILESCC[C@@H]1CCCN1N=O
InChIInChI=1S/C6H12N2O/c1-2-6-4-3-5-8(6)7-9/h6H,2-5H2,1H3/t6-/m1/s1
InChIKeyYABAXRKRCVWXSP-ZCFIWIBFSA-N
XLogP1.54
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-ethyl-1-methylpyrrolidine;hydrofluoride
CID 162730747
2-ethyl-1-iodopyrrolidine
CID 88932324
(2R)-2-ethylpyrrolidine-1-carbaldehyde
CID 59526694
[(2R)-1-[(E)-propylideneamino]pyrrolidin-2-yl]methanol
CID 89018804
1,2-diethylpyrrolidine;hydrochloride
CID 175060343
(2R)-2-ethyl-1-methylpiperidine
CID 67552955
2-ethyl-1-propylpyrrolidine;hydrochloride
CID 175875106
1-(cyclopropylmethyl)-2-ethylpyrrolidine
CID 59900579
1-methyl-2-(nitrosomethyl)pyrrolidine
CID 142961038
2,7-diethyl-1-methylazepane
CID 146499185
1-(2-ethylpyrrolidin-1-yl)butan-1-one
CID 63083979
1-(chloromethylsulfonyl)-2-ethylpyrrolidine
CID 63666632

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-1-nitrosopyrrolidine?
The IUPAC name of (2R)-2-ethyl-1-nitrosopyrrolidine (CID 167189288) is (2R)-2-ethyl-1-nitrosopyrrolidine.
What is the SMILES notation for (2R)-2-ethyl-1-nitrosopyrrolidine?
The canonical SMILES for (2R)-2-ethyl-1-nitrosopyrrolidine is CC[C@@H]1CCCN1N=O.
What is the InChIKey of (2R)-2-ethyl-1-nitrosopyrrolidine?
The InChIKey is YABAXRKRCVWXSP-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H12N2O/c1-2-6-4-3-5-8(6)7-9/h6H,2-5H2,1H3/t6-/m1/s1.
What are the key properties of (2R)-2-ethyl-1-nitrosopyrrolidine?
(2R)-2-ethyl-1-nitrosopyrrolidine has a molecular weight of 128.18 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-1-nitrosopyrrolidine is sourced from PubChem (CID 167189288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).