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

C11H20N2O2 — CID 63888684

IUPAC4-[(2-cyclopropyl-2-hydroxyethyl)amino]azepan-2-one
SMILESO=C1CC(NCC(O)C2CC2)CCCN1
InChIInChI=1S/C11H20N2O2/c14-10(8-3-4-8)7-13-9-2-1-5-12-11(15)6-9/h8-10,13-14H,1-7H2,(H,12,15)
InChIKeyYONPXDUKZAXETI-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.02
Rot. Bonds4

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

4-[(2-cyclopropyl-2-hydroxyethyl)amino]azepan-2-one (PubChem CID 63888684) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 4-[(2-cyclopropyl-2-hydroxyethyl)amino]azepan-2-one.

Molecular Properties

Compound Name4-[(2-cyclopropyl-2-hydroxyethyl)amino]azepan-2-one
PubChem CID63888684
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name4-[(2-cyclopropyl-2-hydroxyethyl)amino]azepan-2-one
SMILESO=C1CC(NCC(O)C2CC2)CCCN1
InChIInChI=1S/C11H20N2O2/c14-10(8-3-4-8)7-13-9-2-1-5-12-11(15)6-9/h8-10,13-14H,1-7H2,(H,12,15)
InChIKeyYONPXDUKZAXETI-UHFFFAOYSA-N
XLogP0.02
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclopropyl-2-hydroxyethyl)amino]azepan-2-one?
The IUPAC name of 4-[(2-cyclopropyl-2-hydroxyethyl)amino]azepan-2-one (CID 63888684) is 4-[(2-cyclopropyl-2-hydroxyethyl)amino]azepan-2-one.
What is the SMILES notation for 4-[(2-cyclopropyl-2-hydroxyethyl)amino]azepan-2-one?
The canonical SMILES for 4-[(2-cyclopropyl-2-hydroxyethyl)amino]azepan-2-one is O=C1CC(NCC(O)C2CC2)CCCN1.
What is the InChIKey of 4-[(2-cyclopropyl-2-hydroxyethyl)amino]azepan-2-one?
The InChIKey is YONPXDUKZAXETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c14-10(8-3-4-8)7-13-9-2-1-5-12-11(15)6-9/h8-10,13-14H,1-7H2,(H,12,15).
What are the key properties of 4-[(2-cyclopropyl-2-hydroxyethyl)amino]azepan-2-one?
4-[(2-cyclopropyl-2-hydroxyethyl)amino]azepan-2-one has a molecular weight of 212.29 g/mol, XLogP of 0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclopropyl-2-hydroxyethyl)amino]azepan-2-one is sourced from PubChem (CID 63888684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).