[4-(ethylamino)oxolan-3-yl]-(oxan-3-yl)methanone

C12H21NO3 — CID 107138424

IUPAC[4-(ethylamino)oxolan-3-yl]-(oxan-3-yl)methanone
SMILESCCNC1COCC1C(=O)C1CCCOC1
InChIInChI=1S/C12H21NO3/c1-2-13-11-8-16-7-10(11)12(14)9-4-3-5-15-6-9/h9-11,13H,2-8H2,1H3
InChIKeyZUNWPMAAHKXCJK-UHFFFAOYSA-N
MW227.30 g/mol
LogP0.61
Rot. Bonds4

About [4-(ethylamino)oxolan-3-yl]-(oxan-3-yl)methanone

[4-(ethylamino)oxolan-3-yl]-(oxan-3-yl)methanone (PubChem CID 107138424) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is [4-(ethylamino)oxolan-3-yl]-(oxan-3-yl)methanone.

Molecular Properties

Compound Name[4-(ethylamino)oxolan-3-yl]-(oxan-3-yl)methanone
PubChem CID107138424
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name[4-(ethylamino)oxolan-3-yl]-(oxan-3-yl)methanone
SMILESCCNC1COCC1C(=O)C1CCCOC1
InChIInChI=1S/C12H21NO3/c1-2-13-11-8-16-7-10(11)12(14)9-4-3-5-15-6-9/h9-11,13H,2-8H2,1H3
InChIKeyZUNWPMAAHKXCJK-UHFFFAOYSA-N
XLogP0.61
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(ethylamino)oxolan-3-yl]-(oxan-3-yl)methanone?
The IUPAC name of [4-(ethylamino)oxolan-3-yl]-(oxan-3-yl)methanone (CID 107138424) is [4-(ethylamino)oxolan-3-yl]-(oxan-3-yl)methanone.
What is the SMILES notation for [4-(ethylamino)oxolan-3-yl]-(oxan-3-yl)methanone?
The canonical SMILES for [4-(ethylamino)oxolan-3-yl]-(oxan-3-yl)methanone is CCNC1COCC1C(=O)C1CCCOC1.
What is the InChIKey of [4-(ethylamino)oxolan-3-yl]-(oxan-3-yl)methanone?
The InChIKey is ZUNWPMAAHKXCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-2-13-11-8-16-7-10(11)12(14)9-4-3-5-15-6-9/h9-11,13H,2-8H2,1H3.
What are the key properties of [4-(ethylamino)oxolan-3-yl]-(oxan-3-yl)methanone?
[4-(ethylamino)oxolan-3-yl]-(oxan-3-yl)methanone has a molecular weight of 227.30 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylamino)oxolan-3-yl]-(oxan-3-yl)methanone is sourced from PubChem (CID 107138424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).