3-cyclopentyl-5-(hydroxymethyl)-1,3-oxazinan-2-one

C10H17NO3 — CID 117011500

IUPAC3-cyclopentyl-5-(hydroxymethyl)-1,3-oxazinan-2-one
SMILESO=C1OCC(CO)CN1C1CCCC1
InChIInChI=1S/C10H17NO3/c12-6-8-5-11(10(13)14-7-8)9-3-1-2-4-9/h8-9,12H,1-7H2
InChIKeyYQIVBFZWDURLPW-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.99
Rot. Bonds2

About 3-cyclopentyl-5-(hydroxymethyl)-1,3-oxazinan-2-one

3-cyclopentyl-5-(hydroxymethyl)-1,3-oxazinan-2-one (PubChem CID 117011500) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-cyclopentyl-5-(hydroxymethyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-cyclopentyl-5-(hydroxymethyl)-1,3-oxazinan-2-one
PubChem CID117011500
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name3-cyclopentyl-5-(hydroxymethyl)-1,3-oxazinan-2-one
SMILESO=C1OCC(CO)CN1C1CCCC1
InChIInChI=1S/C10H17NO3/c12-6-8-5-11(10(13)14-7-8)9-3-1-2-4-9/h8-9,12H,1-7H2
InChIKeyYQIVBFZWDURLPW-UHFFFAOYSA-N
XLogP0.99
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-cyclopentyl-2-oxo-1,3-oxazinan-5-yl)propanoic acid
CID 117011208
5-(2-aminoethyl)-3-cycloheptyl-1,3-oxazinan-2-one
CID 117002390
(4R)-1-cyclohexyl-4-(hydroxymethyl)pyrrolidin-2-one
CID 42259368
3-cyclopentyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 90189648
3-tert-butyl-5-(hydroxymethyl)-1,3-oxazinan-2-one
CID 117011518
(4S)-1-cyclopropyl-4-(hydroxymethyl)pyrrolidin-2-one
CID 42259346
3-cyclohexyl-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one
CID 115064770
3-cyclohexyl-5-[[4-[(2,5-dichlorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazinan-2-one
CID 23028986
5-[[4-[(2-bromo-5-chlorophenyl)methyl]piperidin-1-yl]methyl]-3-cyclohexyl-1,3-oxazinan-2-one
CID 23030131
5-(hydroxymethyl)-3-(4-methylphenyl)-1,3-oxazinan-2-one
CID 117011525
5-(hydroxymethyl)-3-(2-morpholin-4-ylethyl)-1,3-oxazinan-2-one
CID 117011506
1-[(1S,2R)-2-aminocyclohexyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168661550

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-5-(hydroxymethyl)-1,3-oxazinan-2-one?
The IUPAC name of 3-cyclopentyl-5-(hydroxymethyl)-1,3-oxazinan-2-one (CID 117011500) is 3-cyclopentyl-5-(hydroxymethyl)-1,3-oxazinan-2-one.
What is the SMILES notation for 3-cyclopentyl-5-(hydroxymethyl)-1,3-oxazinan-2-one?
The canonical SMILES for 3-cyclopentyl-5-(hydroxymethyl)-1,3-oxazinan-2-one is O=C1OCC(CO)CN1C1CCCC1.
What is the InChIKey of 3-cyclopentyl-5-(hydroxymethyl)-1,3-oxazinan-2-one?
The InChIKey is YQIVBFZWDURLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c12-6-8-5-11(10(13)14-7-8)9-3-1-2-4-9/h8-9,12H,1-7H2.
What are the key properties of 3-cyclopentyl-5-(hydroxymethyl)-1,3-oxazinan-2-one?
3-cyclopentyl-5-(hydroxymethyl)-1,3-oxazinan-2-one has a molecular weight of 199.25 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5-(hydroxymethyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 117011500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).