bis(azepan-2-one);dihydrochloride

C12H24Cl2N2O2 — CID 158190902

IUPACbis(azepan-2-one);dihydrochloride
SMILESCl.Cl.O=C1CCCCCN1.O=C1CCCCCN1
InChIInChI=1S/2C6H11NO.2ClH/c2*8-6-4-2-1-3-5-7-6;;/h2*1-5H2,(H,7,8);2*1H
InChIKeyFZSVVSHSFHYFDT-UHFFFAOYSA-N
MW299.24 g/mol
LogP2.20
Rot. Bonds

About bis(azepan-2-one);dihydrochloride

bis(azepan-2-one);dihydrochloride (PubChem CID 158190902) has the molecular formula C12H24Cl2N2O2 and a molecular weight of 299.24 g/mol. Its IUPAC name is bis(azepan-2-one);dihydrochloride.

Molecular Properties

Compound Namebis(azepan-2-one);dihydrochloride
PubChem CID158190902
Molecular FormulaC12H24Cl2N2O2
Molecular Weight299.24 g/mol
Exact Mass298.12
IUPAC Namebis(azepan-2-one);dihydrochloride
SMILESCl.Cl.O=C1CCCCCN1.O=C1CCCCCN1
InChIInChI=1S/2C6H11NO.2ClH/c2*8-6-4-2-1-3-5-7-6;;/h2*1-5H2,(H,7,8);2*1H
InChIKeyFZSVVSHSFHYFDT-UHFFFAOYSA-N
XLogP2.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.24
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bis(azepan-2-one);dihydrochloride?
The IUPAC name of bis(azepan-2-one);dihydrochloride (CID 158190902) is bis(azepan-2-one);dihydrochloride.
What is the SMILES notation for bis(azepan-2-one);dihydrochloride?
The canonical SMILES for bis(azepan-2-one);dihydrochloride is Cl.Cl.O=C1CCCCCN1.O=C1CCCCCN1.
What is the InChIKey of bis(azepan-2-one);dihydrochloride?
The InChIKey is FZSVVSHSFHYFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H11NO.2ClH/c2*8-6-4-2-1-3-5-7-6;;/h2*1-5H2,(H,7,8);2*1H.
What are the key properties of bis(azepan-2-one);dihydrochloride?
bis(azepan-2-one);dihydrochloride has a molecular weight of 299.24 g/mol, XLogP of 2.20, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(azepan-2-one);dihydrochloride is sourced from PubChem (CID 158190902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).