azepan-2-one;pyrrolidin-2-one

C10H18N2O2 — CID 22023756

IUPACazepan-2-one;pyrrolidin-2-one
SMILESO=C1CCCCCN1.O=C1CCCN1
InChIInChI=1S/C6H11NO.C4H7NO/c8-6-4-2-1-3-5-7-6;6-4-2-1-3-5-4/h1-5H2,(H,7,8);1-3H2,(H,5,6)
InChIKeyBAXSHEDIASCPBV-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.57
Rot. Bonds

About azepan-2-one;pyrrolidin-2-one

azepan-2-one;pyrrolidin-2-one (PubChem CID 22023756) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is azepan-2-one;pyrrolidin-2-one.

Molecular Properties

Compound Nameazepan-2-one;pyrrolidin-2-one
PubChem CID22023756
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Nameazepan-2-one;pyrrolidin-2-one
SMILESO=C1CCCCCN1.O=C1CCCN1
InChIInChI=1S/C6H11NO.C4H7NO/c8-6-4-2-1-3-5-7-6;6-4-2-1-3-5-4/h1-5H2,(H,7,8);1-3H2,(H,5,6)
InChIKeyBAXSHEDIASCPBV-UHFFFAOYSA-N
XLogP0.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azepan-2-one;pyrrolidin-2-one?
The IUPAC name of azepan-2-one;pyrrolidin-2-one (CID 22023756) is azepan-2-one;pyrrolidin-2-one.
What is the SMILES notation for azepan-2-one;pyrrolidin-2-one?
The canonical SMILES for azepan-2-one;pyrrolidin-2-one is O=C1CCCCCN1.O=C1CCCN1.
What is the InChIKey of azepan-2-one;pyrrolidin-2-one?
The InChIKey is BAXSHEDIASCPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C4H7NO/c8-6-4-2-1-3-5-7-6;6-4-2-1-3-5-4/h1-5H2,(H,7,8);1-3H2,(H,5,6).
What are the key properties of azepan-2-one;pyrrolidin-2-one?
azepan-2-one;pyrrolidin-2-one has a molecular weight of 198.27 g/mol, XLogP of 0.57, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-2-one;pyrrolidin-2-one is sourced from PubChem (CID 22023756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).