2-cyclopropyl-1-[8-(2-hydroxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone

C13H22N2O2 — CID 70327216

IUPAC2-cyclopropyl-1-[8-(2-hydroxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone
SMILESO=C(CC1CC1)N1CC2CCC(C1)N2CCO
InChIInChI=1S/C13H22N2O2/c16-6-5-15-11-3-4-12(15)9-14(8-11)13(17)7-10-1-2-10/h10-12,16H,1-9H2
InChIKeyOPSVOFZFBNVREL-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.45
Rot. Bonds4

About 2-cyclopropyl-1-[8-(2-hydroxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone

2-cyclopropyl-1-[8-(2-hydroxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone (PubChem CID 70327216) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-cyclopropyl-1-[8-(2-hydroxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[8-(2-hydroxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone
PubChem CID70327216
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-cyclopropyl-1-[8-(2-hydroxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone
SMILESO=C(CC1CC1)N1CC2CCC(C1)N2CCO
InChIInChI=1S/C13H22N2O2/c16-6-5-15-11-3-4-12(15)9-14(8-11)13(17)7-10-1-2-10/h10-12,16H,1-9H2
InChIKeyOPSVOFZFBNVREL-UHFFFAOYSA-N
XLogP0.45
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[8-(2-hydroxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[8-(2-hydroxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone (CID 70327216) is 2-cyclopropyl-1-[8-(2-hydroxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[8-(2-hydroxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[8-(2-hydroxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone is O=C(CC1CC1)N1CC2CCC(C1)N2CCO.
What is the InChIKey of 2-cyclopropyl-1-[8-(2-hydroxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone?
The InChIKey is OPSVOFZFBNVREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c16-6-5-15-11-3-4-12(15)9-14(8-11)13(17)7-10-1-2-10/h10-12,16H,1-9H2.
What are the key properties of 2-cyclopropyl-1-[8-(2-hydroxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone?
2-cyclopropyl-1-[8-(2-hydroxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone has a molecular weight of 238.33 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[8-(2-hydroxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone is sourced from PubChem (CID 70327216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).