1-methyl-2-(nitrosomethyl)pyrrolidine

C6H12N2O — CID 142961038

IUPAC1-methyl-2-(nitrosomethyl)pyrrolidine
SMILESCN1CCCC1CN=O
InChIInChI=1S/C6H12N2O/c1-8-4-2-3-6(8)5-7-9/h6H,2-5H2,1H3
InChIKeyDZGGKZSIHZVIAN-UHFFFAOYSA-N
MW128.18 g/mol
LogP0.85
Rot. Bonds2

About 1-methyl-2-(nitrosomethyl)pyrrolidine

1-methyl-2-(nitrosomethyl)pyrrolidine (PubChem CID 142961038) has the molecular formula C6H12N2O and a molecular weight of 128.18 g/mol. Its IUPAC name is 1-methyl-2-(nitrosomethyl)pyrrolidine.

Molecular Properties

Compound Name1-methyl-2-(nitrosomethyl)pyrrolidine
PubChem CID142961038
Molecular FormulaC6H12N2O
Molecular Weight128.18 g/mol
Exact Mass128.09
IUPAC Name1-methyl-2-(nitrosomethyl)pyrrolidine
SMILESCN1CCCC1CN=O
InChIInChI=1S/C6H12N2O/c1-8-4-2-3-6(8)5-7-9/h6H,2-5H2,1H3
InChIKeyDZGGKZSIHZVIAN-UHFFFAOYSA-N
XLogP0.85
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(isocyanatomethyl)-1-methylpiperidine
CID 21030173
(2R)-2-ethyl-1-methylpyrrolidine;hydrofluoride
CID 162730747
2-[(1-methylpyrrolidin-2-yl)methylimino]imidazolidine-4,5-dione
CID 136731515
[(2R)-1-methylpyrrolidin-2-yl]methanethiol
CID 90948106
(1-methylpyrrolidin-2-yl)methyl formate
CID 54245188
(1-methylpyrrolidin-2-yl)methanol;yttrium
CID 164903793
(2S)-1-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 10920923
(1-methylpyrrolidin-2-yl)methanesulfonyl chloride
CID 127010204
(2R)-2-ethyl-1-methylpiperidine
CID 67552955
1-methyl-2-[(1-methylpiperidin-2-yl)methyl]piperidine
CID 54394556
methanesulfonyl chloride;[(2S)-1-methylpyrrolidin-2-yl]methanol
CID 91224158
ethane;1-(1-methylpyrrolidin-2-yl)propan-2-one
CID 91473977

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(nitrosomethyl)pyrrolidine?
The IUPAC name of 1-methyl-2-(nitrosomethyl)pyrrolidine (CID 142961038) is 1-methyl-2-(nitrosomethyl)pyrrolidine.
What is the SMILES notation for 1-methyl-2-(nitrosomethyl)pyrrolidine?
The canonical SMILES for 1-methyl-2-(nitrosomethyl)pyrrolidine is CN1CCCC1CN=O.
What is the InChIKey of 1-methyl-2-(nitrosomethyl)pyrrolidine?
The InChIKey is DZGGKZSIHZVIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-8-4-2-3-6(8)5-7-9/h6H,2-5H2,1H3.
What are the key properties of 1-methyl-2-(nitrosomethyl)pyrrolidine?
1-methyl-2-(nitrosomethyl)pyrrolidine has a molecular weight of 128.18 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(nitrosomethyl)pyrrolidine is sourced from PubChem (CID 142961038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).