2-(cyclopropylamino)-1-(oxan-3-yl)ethanone

C10H17NO2 — CID 107138308

IUPAC2-(cyclopropylamino)-1-(oxan-3-yl)ethanone
SMILESO=C(CNC1CC1)C1CCCOC1
InChIInChI=1S/C10H17NO2/c12-10(6-11-9-3-4-9)8-2-1-5-13-7-8/h8-9,11H,1-7H2
InChIKeyQLJHZKKPTVNOME-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.73
Rot. Bonds4

About 2-(cyclopropylamino)-1-(oxan-3-yl)ethanone

2-(cyclopropylamino)-1-(oxan-3-yl)ethanone (PubChem CID 107138308) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-(cyclopropylamino)-1-(oxan-3-yl)ethanone.

Molecular Properties

Compound Name2-(cyclopropylamino)-1-(oxan-3-yl)ethanone
PubChem CID107138308
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-(cyclopropylamino)-1-(oxan-3-yl)ethanone
SMILESO=C(CNC1CC1)C1CCCOC1
InChIInChI=1S/C10H17NO2/c12-10(6-11-9-3-4-9)8-2-1-5-13-7-8/h8-9,11H,1-7H2
InChIKeyQLJHZKKPTVNOME-UHFFFAOYSA-N
XLogP0.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-1-(oxan-3-yl)ethanone?
The IUPAC name of 2-(cyclopropylamino)-1-(oxan-3-yl)ethanone (CID 107138308) is 2-(cyclopropylamino)-1-(oxan-3-yl)ethanone.
What is the SMILES notation for 2-(cyclopropylamino)-1-(oxan-3-yl)ethanone?
The canonical SMILES for 2-(cyclopropylamino)-1-(oxan-3-yl)ethanone is O=C(CNC1CC1)C1CCCOC1.
What is the InChIKey of 2-(cyclopropylamino)-1-(oxan-3-yl)ethanone?
The InChIKey is QLJHZKKPTVNOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c12-10(6-11-9-3-4-9)8-2-1-5-13-7-8/h8-9,11H,1-7H2.
What are the key properties of 2-(cyclopropylamino)-1-(oxan-3-yl)ethanone?
2-(cyclopropylamino)-1-(oxan-3-yl)ethanone has a molecular weight of 183.25 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-1-(oxan-3-yl)ethanone is sourced from PubChem (CID 107138308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).