2-(azepan-4-yl)-1-pyrrolidin-1-ylethanone

C12H22N2O — CID 119031732

IUPAC2-(azepan-4-yl)-1-pyrrolidin-1-ylethanone
SMILESO=C(CC1CCCNCC1)N1CCCC1
InChIInChI=1S/C12H22N2O/c15-12(14-8-1-2-9-14)10-11-4-3-6-13-7-5-11/h11,13H,1-10H2
InChIKeyLCVZDXWQCIJGNN-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.39
Rot. Bonds2

About 2-(azepan-4-yl)-1-pyrrolidin-1-ylethanone

2-(azepan-4-yl)-1-pyrrolidin-1-ylethanone (PubChem CID 119031732) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(azepan-4-yl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(azepan-4-yl)-1-pyrrolidin-1-ylethanone
PubChem CID119031732
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-(azepan-4-yl)-1-pyrrolidin-1-ylethanone
SMILESO=C(CC1CCCNCC1)N1CCCC1
InChIInChI=1S/C12H22N2O/c15-12(14-8-1-2-9-14)10-11-4-3-6-13-7-5-11/h11,13H,1-10H2
InChIKeyLCVZDXWQCIJGNN-UHFFFAOYSA-N
XLogP1.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(azepan-4-yl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(azepan-4-yl)-1-pyrrolidin-1-ylethanone (CID 119031732) is 2-(azepan-4-yl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(azepan-4-yl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(azepan-4-yl)-1-pyrrolidin-1-ylethanone is O=C(CC1CCCNCC1)N1CCCC1.
What is the InChIKey of 2-(azepan-4-yl)-1-pyrrolidin-1-ylethanone?
The InChIKey is LCVZDXWQCIJGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c15-12(14-8-1-2-9-14)10-11-4-3-6-13-7-5-11/h11,13H,1-10H2.
What are the key properties of 2-(azepan-4-yl)-1-pyrrolidin-1-ylethanone?
2-(azepan-4-yl)-1-pyrrolidin-1-ylethanone has a molecular weight of 210.32 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-4-yl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 119031732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).