N-(1-oxidoazetidin-1-ium-3-yl)heptanamide

C10H20N2O2 — CID 90428089

IUPACN-(1-oxidoazetidin-1-ium-3-yl)heptanamide
SMILESCCCCCCC(=O)NC1C[NH+]([O-])C1
InChIInChI=1S/C10H20N2O2/c1-2-3-4-5-6-10(13)11-9-7-12(14)8-9/h9,12H,2-8H2,1H3,(H,11,13)
InChIKeySWCZAHNCQQLDHS-UHFFFAOYSA-N
MW200.28 g/mol
LogP-0.16
Rot. Bonds6

About N-(1-oxidoazetidin-1-ium-3-yl)heptanamide

N-(1-oxidoazetidin-1-ium-3-yl)heptanamide (PubChem CID 90428089) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is N-(1-oxidoazetidin-1-ium-3-yl)heptanamide.

Molecular Properties

Compound NameN-(1-oxidoazetidin-1-ium-3-yl)heptanamide
PubChem CID90428089
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC NameN-(1-oxidoazetidin-1-ium-3-yl)heptanamide
SMILESCCCCCCC(=O)NC1C[NH+]([O-])C1
InChIInChI=1S/C10H20N2O2/c1-2-3-4-5-6-10(13)11-9-7-12(14)8-9/h9,12H,2-8H2,1H3,(H,11,13)
InChIKeySWCZAHNCQQLDHS-UHFFFAOYSA-N
XLogP-0.16
TPSA56.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1-oxidoazetidin-1-ium-3-yl)heptanamide?
The IUPAC name of N-(1-oxidoazetidin-1-ium-3-yl)heptanamide (CID 90428089) is N-(1-oxidoazetidin-1-ium-3-yl)heptanamide.
What is the SMILES notation for N-(1-oxidoazetidin-1-ium-3-yl)heptanamide?
The canonical SMILES for N-(1-oxidoazetidin-1-ium-3-yl)heptanamide is CCCCCCC(=O)NC1C[NH+]([O-])C1.
What is the InChIKey of N-(1-oxidoazetidin-1-ium-3-yl)heptanamide?
The InChIKey is SWCZAHNCQQLDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-2-3-4-5-6-10(13)11-9-7-12(14)8-9/h9,12H,2-8H2,1H3,(H,11,13).
What are the key properties of N-(1-oxidoazetidin-1-ium-3-yl)heptanamide?
N-(1-oxidoazetidin-1-ium-3-yl)heptanamide has a molecular weight of 200.28 g/mol, XLogP of -0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxidoazetidin-1-ium-3-yl)heptanamide is sourced from PubChem (CID 90428089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).