(1-ethylazetidin-3-yl)-(3-hydroxyazetidin-1-yl)methanone

C9H16N2O2 — CID 69087847

IUPAC(1-ethylazetidin-3-yl)-(3-hydroxyazetidin-1-yl)methanone
SMILESCCN1CC(C(=O)N2CC(O)C2)C1
InChIInChI=1S/C9H16N2O2/c1-2-10-3-7(4-10)9(13)11-5-8(12)6-11/h7-8,12H,2-6H2,1H3
InChIKeyBHPVIGFELGEHBW-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.86
Rot. Bonds2

About (1-ethylazetidin-3-yl)-(3-hydroxyazetidin-1-yl)methanone

(1-ethylazetidin-3-yl)-(3-hydroxyazetidin-1-yl)methanone (PubChem CID 69087847) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (1-ethylazetidin-3-yl)-(3-hydroxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name(1-ethylazetidin-3-yl)-(3-hydroxyazetidin-1-yl)methanone
PubChem CID69087847
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name(1-ethylazetidin-3-yl)-(3-hydroxyazetidin-1-yl)methanone
SMILESCCN1CC(C(=O)N2CC(O)C2)C1
InChIInChI=1S/C9H16N2O2/c1-2-10-3-7(4-10)9(13)11-5-8(12)6-11/h7-8,12H,2-6H2,1H3
InChIKeyBHPVIGFELGEHBW-UHFFFAOYSA-N
XLogP-0.86
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-ethylazetidin-3-yl)-(3-hydroxyazetidin-1-yl)methanone?
The IUPAC name of (1-ethylazetidin-3-yl)-(3-hydroxyazetidin-1-yl)methanone (CID 69087847) is (1-ethylazetidin-3-yl)-(3-hydroxyazetidin-1-yl)methanone.
What is the SMILES notation for (1-ethylazetidin-3-yl)-(3-hydroxyazetidin-1-yl)methanone?
The canonical SMILES for (1-ethylazetidin-3-yl)-(3-hydroxyazetidin-1-yl)methanone is CCN1CC(C(=O)N2CC(O)C2)C1.
What is the InChIKey of (1-ethylazetidin-3-yl)-(3-hydroxyazetidin-1-yl)methanone?
The InChIKey is BHPVIGFELGEHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-2-10-3-7(4-10)9(13)11-5-8(12)6-11/h7-8,12H,2-6H2,1H3.
What are the key properties of (1-ethylazetidin-3-yl)-(3-hydroxyazetidin-1-yl)methanone?
(1-ethylazetidin-3-yl)-(3-hydroxyazetidin-1-yl)methanone has a molecular weight of 184.24 g/mol, XLogP of -0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylazetidin-3-yl)-(3-hydroxyazetidin-1-yl)methanone is sourced from PubChem (CID 69087847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).