4-[cyclopropyl(2-hydroxyethyl)amino]azepan-2-one

C11H20N2O2 — CID 63887903

IUPAC4-[cyclopropyl(2-hydroxyethyl)amino]azepan-2-one
SMILESO=C1CC(N(CCO)C2CC2)CCCN1
InChIInChI=1S/C11H20N2O2/c14-7-6-13(9-3-4-9)10-2-1-5-12-11(15)8-10/h9-10,14H,1-8H2,(H,12,15)
InChIKeyXIGTWFGBFOYYDB-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.11
Rot. Bonds4

About 4-[cyclopropyl(2-hydroxyethyl)amino]azepan-2-one

4-[cyclopropyl(2-hydroxyethyl)amino]azepan-2-one (PubChem CID 63887903) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 4-[cyclopropyl(2-hydroxyethyl)amino]azepan-2-one.

Molecular Properties

Compound Name4-[cyclopropyl(2-hydroxyethyl)amino]azepan-2-one
PubChem CID63887903
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name4-[cyclopropyl(2-hydroxyethyl)amino]azepan-2-one
SMILESO=C1CC(N(CCO)C2CC2)CCCN1
InChIInChI=1S/C11H20N2O2/c14-7-6-13(9-3-4-9)10-2-1-5-12-11(15)8-10/h9-10,14H,1-8H2,(H,12,15)
InChIKeyXIGTWFGBFOYYDB-UHFFFAOYSA-N
XLogP0.11
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(2-hydroxyethyl)amino]azepan-2-one?
The IUPAC name of 4-[cyclopropyl(2-hydroxyethyl)amino]azepan-2-one (CID 63887903) is 4-[cyclopropyl(2-hydroxyethyl)amino]azepan-2-one.
What is the SMILES notation for 4-[cyclopropyl(2-hydroxyethyl)amino]azepan-2-one?
The canonical SMILES for 4-[cyclopropyl(2-hydroxyethyl)amino]azepan-2-one is O=C1CC(N(CCO)C2CC2)CCCN1.
What is the InChIKey of 4-[cyclopropyl(2-hydroxyethyl)amino]azepan-2-one?
The InChIKey is XIGTWFGBFOYYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c14-7-6-13(9-3-4-9)10-2-1-5-12-11(15)8-10/h9-10,14H,1-8H2,(H,12,15).
What are the key properties of 4-[cyclopropyl(2-hydroxyethyl)amino]azepan-2-one?
4-[cyclopropyl(2-hydroxyethyl)amino]azepan-2-one has a molecular weight of 212.29 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(2-hydroxyethyl)amino]azepan-2-one is sourced from PubChem (CID 63887903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).