4-methyl-2-nitrosopiperidine

C6H12N2O — CID 91506652

IUPAC4-methyl-2-nitrosopiperidine
SMILESCC1CCNC(N=O)C1
InChIInChI=1S/C6H12N2O/c1-5-2-3-7-6(4-5)8-9/h5-7H,2-4H2,1H3
InChIKeyRRGZYWOUHSHJND-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.10
Rot. Bonds1

About 4-methyl-2-nitrosopiperidine

4-methyl-2-nitrosopiperidine (PubChem CID 91506652) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 4-methyl-2-nitrosopiperidine.

Molecular Properties

Compound Name4-methyl-2-nitrosopiperidine
PubChem CID91506652
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name4-methyl-2-nitrosopiperidine
SMILESCC1CCNC(N=O)C1
InChIInChI=1S/C6H12N2O/c1-5-2-3-7-6(4-5)8-9/h5-7H,2-4H2,1H3
InChIKeyRRGZYWOUHSHJND-UHFFFAOYSA-N
XLogP1.10
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-nitrosopiperidine?
The IUPAC name of 4-methyl-2-nitrosopiperidine (CID 91506652) is 4-methyl-2-nitrosopiperidine.
What is the SMILES notation for 4-methyl-2-nitrosopiperidine?
The canonical SMILES for 4-methyl-2-nitrosopiperidine is CC1CCNC(N=O)C1.
What is the InChIKey of 4-methyl-2-nitrosopiperidine?
The InChIKey is RRGZYWOUHSHJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-5-2-3-7-6(4-5)8-9/h5-7H,2-4H2,1H3.
What are the key properties of 4-methyl-2-nitrosopiperidine?
4-methyl-2-nitrosopiperidine has a molecular weight of 128.17 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-nitrosopiperidine is sourced from PubChem (CID 91506652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).