(4-aminooxolan-3-yl)-(oxan-3-yl)methanone

C10H17NO3 — CID 107138422

IUPAC(4-aminooxolan-3-yl)-(oxan-3-yl)methanone
SMILESNC1COCC1C(=O)C1CCCOC1
InChIInChI=1S/C10H17NO3/c11-9-6-14-5-8(9)10(12)7-2-1-3-13-4-7/h7-9H,1-6,11H2
InChIKeyRARAROPHOKYXFN-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.04
Rot. Bonds2

About (4-aminooxolan-3-yl)-(oxan-3-yl)methanone

(4-aminooxolan-3-yl)-(oxan-3-yl)methanone (PubChem CID 107138422) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is (4-aminooxolan-3-yl)-(oxan-3-yl)methanone.

Molecular Properties

Compound Name(4-aminooxolan-3-yl)-(oxan-3-yl)methanone
PubChem CID107138422
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name(4-aminooxolan-3-yl)-(oxan-3-yl)methanone
SMILESNC1COCC1C(=O)C1CCCOC1
InChIInChI=1S/C10H17NO3/c11-9-6-14-5-8(9)10(12)7-2-1-3-13-4-7/h7-9H,1-6,11H2
InChIKeyRARAROPHOKYXFN-UHFFFAOYSA-N
XLogP-0.04
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(Methylamino)oxolan-3-yl]-(oxan-3-yl)methanone
CID 107138332
(4-Amino-3-methyloxolan-3-yl)-(oxan-3-yl)methanone
CID 107138338
(3-Aminooxolan-3-yl)-(oxan-3-yl)methanone
CID 107138396
Oxan-3-yl-[4-(propylamino)oxolan-3-yl]methanone
CID 107138423
[4-(Ethylamino)oxolan-3-yl]-(oxan-3-yl)methanone
CID 107138424
3-Amino-4-methyl-1-(oxan-3-yl)pentan-1-one
CID 107138485
3-Amino-1-(oxan-3-yl)pentan-1-one
CID 107138494
3-Amino-2-methyl-1-(oxan-3-yl)butan-1-one
CID 107138504
1-(4-Amino-3-methyloxolan-3-yl)-2-methylpentan-1-one
CID 107889967
1-(4-Aminooxolan-3-yl)-2-methylpentan-1-one
CID 107890178
(4-Aminooxolan-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 113540210
(4-Amino-3-methyloxolan-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 114624595

Frequently Asked Questions

What is the IUPAC name of (4-aminooxolan-3-yl)-(oxan-3-yl)methanone?
The IUPAC name of (4-aminooxolan-3-yl)-(oxan-3-yl)methanone (CID 107138422) is (4-aminooxolan-3-yl)-(oxan-3-yl)methanone.
What is the SMILES notation for (4-aminooxolan-3-yl)-(oxan-3-yl)methanone?
The canonical SMILES for (4-aminooxolan-3-yl)-(oxan-3-yl)methanone is NC1COCC1C(=O)C1CCCOC1.
What is the InChIKey of (4-aminooxolan-3-yl)-(oxan-3-yl)methanone?
The InChIKey is RARAROPHOKYXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c11-9-6-14-5-8(9)10(12)7-2-1-3-13-4-7/h7-9H,1-6,11H2.
What are the key properties of (4-aminooxolan-3-yl)-(oxan-3-yl)methanone?
(4-aminooxolan-3-yl)-(oxan-3-yl)methanone has a molecular weight of 199.25 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminooxolan-3-yl)-(oxan-3-yl)methanone is sourced from PubChem (CID 107138422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).