1,3-dimethyl-4-nitrosopyrrolidine

C6H12N2O — CID 90894127

IUPAC1,3-dimethyl-4-nitrosopyrrolidine
SMILESCC1CN(C)CC1N=O
InChIInChI=1S/C6H12N2O/c1-5-3-8(2)4-6(5)7-9/h5-6H,3-4H2,1-2H3
InChIKeyIATVKOURFQPBOC-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.70
Rot. Bonds1

About 1,3-dimethyl-4-nitrosopyrrolidine

1,3-dimethyl-4-nitrosopyrrolidine (PubChem CID 90894127) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 1,3-dimethyl-4-nitrosopyrrolidine.

Molecular Properties

Compound Name1,3-dimethyl-4-nitrosopyrrolidine
PubChem CID90894127
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name1,3-dimethyl-4-nitrosopyrrolidine
SMILESCC1CN(C)CC1N=O
InChIInChI=1S/C6H12N2O/c1-5-3-8(2)4-6(5)7-9/h5-6H,3-4H2,1-2H3
InChIKeyIATVKOURFQPBOC-UHFFFAOYSA-N
XLogP0.70
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-nitrosopyrrolidine?
The IUPAC name of 1,3-dimethyl-4-nitrosopyrrolidine (CID 90894127) is 1,3-dimethyl-4-nitrosopyrrolidine.
What is the SMILES notation for 1,3-dimethyl-4-nitrosopyrrolidine?
The canonical SMILES for 1,3-dimethyl-4-nitrosopyrrolidine is CC1CN(C)CC1N=O.
What is the InChIKey of 1,3-dimethyl-4-nitrosopyrrolidine?
The InChIKey is IATVKOURFQPBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-5-3-8(2)4-6(5)7-9/h5-6H,3-4H2,1-2H3.
What are the key properties of 1,3-dimethyl-4-nitrosopyrrolidine?
1,3-dimethyl-4-nitrosopyrrolidine has a molecular weight of 128.17 g/mol, XLogP of 0.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-nitrosopyrrolidine is sourced from PubChem (CID 90894127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).