(3-aminooxolan-3-yl)-(oxolan-3-yl)methanone

C9H15NO3 — CID 116579508

IUPAC(3-aminooxolan-3-yl)-(oxolan-3-yl)methanone
SMILESNC1(C(=O)C2CCOC2)CCOC1
InChIInChI=1S/C9H15NO3/c10-9(2-4-13-6-9)8(11)7-1-3-12-5-7/h7H,1-6,10H2
InChIKeyQQEVRLUSIWIXLV-UHFFFAOYSA-N
MW185.22 g/mol
LogP-0.29
Rot. Bonds2

About (3-aminooxolan-3-yl)-(oxolan-3-yl)methanone

(3-aminooxolan-3-yl)-(oxolan-3-yl)methanone (PubChem CID 116579508) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is (3-aminooxolan-3-yl)-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name(3-aminooxolan-3-yl)-(oxolan-3-yl)methanone
PubChem CID116579508
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name(3-aminooxolan-3-yl)-(oxolan-3-yl)methanone
SMILESNC1(C(=O)C2CCOC2)CCOC1
InChIInChI=1S/C9H15NO3/c10-9(2-4-13-6-9)8(11)7-1-3-12-5-7/h7H,1-6,10H2
InChIKeyQQEVRLUSIWIXLV-UHFFFAOYSA-N
XLogP-0.29
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-aminooxolan-3-yl)-(3-methylcyclohexyl)methanone
CID 116579553
(3S)-3-aminooxolane-3-carboxamide
CID 96640573
1-(3-aminooxolane-3-carbonyl)piperidine-4-carboxylic acid
CID 64891574
1-(3-aminooxolan-3-yl)ethanone
CID 59621130
(3S)-oxolane-3-carboxamide
CID 67048684
(1-aminocyclohexyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone
CID 116550493
(3-aminooxolan-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 64891679
(3-methoxyoxolan-3-yl)-(oxan-4-yl)methanone
CID 131001089
oxolan-3-yl-(1-pyrrolidin-1-ylcyclopentyl)methanone
CID 79060144
(1-aminocyclobutyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 116598404
(1-aminocyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 116558699
1-(3-aminooxolan-3-yl)-2,2-dimethylpropan-1-one
CID 116579625

Frequently Asked Questions

What is the IUPAC name of (3-aminooxolan-3-yl)-(oxolan-3-yl)methanone?
The IUPAC name of (3-aminooxolan-3-yl)-(oxolan-3-yl)methanone (CID 116579508) is (3-aminooxolan-3-yl)-(oxolan-3-yl)methanone.
What is the SMILES notation for (3-aminooxolan-3-yl)-(oxolan-3-yl)methanone?
The canonical SMILES for (3-aminooxolan-3-yl)-(oxolan-3-yl)methanone is NC1(C(=O)C2CCOC2)CCOC1.
What is the InChIKey of (3-aminooxolan-3-yl)-(oxolan-3-yl)methanone?
The InChIKey is QQEVRLUSIWIXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c10-9(2-4-13-6-9)8(11)7-1-3-12-5-7/h7H,1-6,10H2.
What are the key properties of (3-aminooxolan-3-yl)-(oxolan-3-yl)methanone?
(3-aminooxolan-3-yl)-(oxolan-3-yl)methanone has a molecular weight of 185.22 g/mol, XLogP of -0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminooxolan-3-yl)-(oxolan-3-yl)methanone is sourced from PubChem (CID 116579508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).