3-[[methyl(oxolan-3-yl)amino]methyl]oxan-4-one

C11H19NO3 — CID 103058130

IUPAC3-[[methyl(oxolan-3-yl)amino]methyl]oxan-4-one
SMILESCN(CC1COCCC1=O)C1CCOC1
InChIInChI=1S/C11H19NO3/c1-12(10-2-4-15-8-10)6-9-7-14-5-3-11(9)13/h9-10H,2-8H2,1H3
InChIKeyDPHVCWSMAVRQRG-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.31
Rot. Bonds3

About 3-[[methyl(oxolan-3-yl)amino]methyl]oxan-4-one

3-[[methyl(oxolan-3-yl)amino]methyl]oxan-4-one (PubChem CID 103058130) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-[[methyl(oxolan-3-yl)amino]methyl]oxan-4-one.

Molecular Properties

Compound Name3-[[methyl(oxolan-3-yl)amino]methyl]oxan-4-one
PubChem CID103058130
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name3-[[methyl(oxolan-3-yl)amino]methyl]oxan-4-one
SMILESCN(CC1COCCC1=O)C1CCOC1
InChIInChI=1S/C11H19NO3/c1-12(10-2-4-15-8-10)6-9-7-14-5-3-11(9)13/h9-10H,2-8H2,1H3
InChIKeyDPHVCWSMAVRQRG-UHFFFAOYSA-N
XLogP0.31
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-Fluoro-1-propan-2-ylpiperidin-3-yl)methoxy]butan-2-one
CID 170366272
4-[[(2S,4S)-1-propan-2-yl-4-(trifluoromethyl)pyrrolidin-2-yl]methoxy]butan-2-one
CID 170366431
3-[[Propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-one
CID 103057766
3-[(3-Fluoropyrrolidin-1-yl)methyl]oxan-4-one
CID 164651214
3-(Morpholin-4-ylmethyl)oxan-4-one hydrochloride
CID 75525768
1-Methyl-2,3,4a,5,7,7a-hexahydrofuro[3,4-b]pyridin-4-one
CID 85255394
(3R)-3-(methoxymethyl)-1-propan-2-ylpiperidin-4-one
CID 156652231
4-Methyl-1-[(1-propan-2-ylpyrrolidin-2-yl)methoxy]pentan-3-one
CID 167242277
4-Methyl-1-[(1-propan-2-ylpiperidin-2-yl)methoxy]pentan-3-one
CID 167242279
4-[3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propoxy]butan-2-one
CID 167303155
2-methyl-1-[(6S)-4-propan-2-yl-1,4-oxazepan-6-yl]propan-1-one
CID 169659095
2-methyl-1-[(6R)-4-propan-2-yl-1,4-oxazepan-6-yl]propan-1-one
CID 169659487

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(oxolan-3-yl)amino]methyl]oxan-4-one?
The IUPAC name of 3-[[methyl(oxolan-3-yl)amino]methyl]oxan-4-one (CID 103058130) is 3-[[methyl(oxolan-3-yl)amino]methyl]oxan-4-one.
What is the SMILES notation for 3-[[methyl(oxolan-3-yl)amino]methyl]oxan-4-one?
The canonical SMILES for 3-[[methyl(oxolan-3-yl)amino]methyl]oxan-4-one is CN(CC1COCCC1=O)C1CCOC1.
What is the InChIKey of 3-[[methyl(oxolan-3-yl)amino]methyl]oxan-4-one?
The InChIKey is DPHVCWSMAVRQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-12(10-2-4-15-8-10)6-9-7-14-5-3-11(9)13/h9-10H,2-8H2,1H3.
What are the key properties of 3-[[methyl(oxolan-3-yl)amino]methyl]oxan-4-one?
3-[[methyl(oxolan-3-yl)amino]methyl]oxan-4-one has a molecular weight of 213.28 g/mol, XLogP of 0.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(oxolan-3-yl)amino]methyl]oxan-4-one is sourced from PubChem (CID 103058130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).