1-(3-methyldiazirin-3-yl)decan-3-one

C12H22N2O — CID 157340250

IUPAC1-(3-methyldiazirin-3-yl)decan-3-one
SMILESCCCCCCCC(=O)CCC1(C)N=N1
InChIInChI=1S/C12H22N2O/c1-3-4-5-6-7-8-11(15)9-10-12(2)13-14-12/h3-10H2,1-2H3
InChIKeyZAPLZKGBSDQWCE-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.88
Rot. Bonds9

About 1-(3-methyldiazirin-3-yl)decan-3-one

1-(3-methyldiazirin-3-yl)decan-3-one (PubChem CID 157340250) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-(3-methyldiazirin-3-yl)decan-3-one.

Molecular Properties

Compound Name1-(3-methyldiazirin-3-yl)decan-3-one
PubChem CID157340250
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-(3-methyldiazirin-3-yl)decan-3-one
SMILESCCCCCCCC(=O)CCC1(C)N=N1
InChIInChI=1S/C12H22N2O/c1-3-4-5-6-7-8-11(15)9-10-12(2)13-14-12/h3-10H2,1-2H3
InChIKeyZAPLZKGBSDQWCE-UHFFFAOYSA-N
XLogP3.88
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyldiazirin-3-yl)decan-3-one?
The IUPAC name of 1-(3-methyldiazirin-3-yl)decan-3-one (CID 157340250) is 1-(3-methyldiazirin-3-yl)decan-3-one.
What is the SMILES notation for 1-(3-methyldiazirin-3-yl)decan-3-one?
The canonical SMILES for 1-(3-methyldiazirin-3-yl)decan-3-one is CCCCCCCC(=O)CCC1(C)N=N1.
What is the InChIKey of 1-(3-methyldiazirin-3-yl)decan-3-one?
The InChIKey is ZAPLZKGBSDQWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-4-5-6-7-8-11(15)9-10-12(2)13-14-12/h3-10H2,1-2H3.
What are the key properties of 1-(3-methyldiazirin-3-yl)decan-3-one?
1-(3-methyldiazirin-3-yl)decan-3-one has a molecular weight of 210.32 g/mol, XLogP of 3.88, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyldiazirin-3-yl)decan-3-one is sourced from PubChem (CID 157340250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).