1-nitrosoazecan-2-one

C9H16N2O2 — CID 14270809

IUPAC1-nitrosoazecan-2-one
SMILESO=NN1CCCCCCCCC1=O
InChIInChI=1S/C9H16N2O2/c12-9-7-5-3-1-2-4-6-8-11(9)10-13/h1-8H2
InChIKeySGGMFBOXDGBEQY-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.24
Rot. Bonds1

About 1-nitrosoazecan-2-one

1-nitrosoazecan-2-one (PubChem CID 14270809) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-nitrosoazecan-2-one.

Molecular Properties

Compound Name1-nitrosoazecan-2-one
PubChem CID14270809
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-nitrosoazecan-2-one
SMILESO=NN1CCCCCCCCC1=O
InChIInChI=1S/C9H16N2O2/c12-9-7-5-3-1-2-4-6-8-11(9)10-13/h1-8H2
InChIKeySGGMFBOXDGBEQY-UHFFFAOYSA-N
XLogP2.24
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.24
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 1-nitrosoazecan-2-one?
The IUPAC name of 1-nitrosoazecan-2-one (CID 14270809) is 1-nitrosoazecan-2-one.
What is the SMILES notation for 1-nitrosoazecan-2-one?
The canonical SMILES for 1-nitrosoazecan-2-one is O=NN1CCCCCCCCC1=O.
What is the InChIKey of 1-nitrosoazecan-2-one?
The InChIKey is SGGMFBOXDGBEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c12-9-7-5-3-1-2-4-6-8-11(9)10-13/h1-8H2.
What are the key properties of 1-nitrosoazecan-2-one?
1-nitrosoazecan-2-one has a molecular weight of 184.24 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitrosoazecan-2-one is sourced from PubChem (CID 14270809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).