2-(5-cyclopentyl-5-methyl-3-oxo-1,2-oxazolidin-2-yl)acetaldehyde

C11H17NO3 — CID 105465008

IUPAC2-(5-cyclopentyl-5-methyl-3-oxo-1,2-oxazolidin-2-yl)acetaldehyde
SMILESCC1(C2CCCC2)CC(=O)N(CC=O)O1
InChIInChI=1S/C11H17NO3/c1-11(9-4-2-3-5-9)8-10(14)12(15-11)6-7-13/h7,9H,2-6,8H2,1H3
InChIKeyJWBDOGOIKMTQEJ-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.30
Rot. Bonds3

About 2-(5-cyclopentyl-5-methyl-3-oxo-1,2-oxazolidin-2-yl)acetaldehyde

2-(5-cyclopentyl-5-methyl-3-oxo-1,2-oxazolidin-2-yl)acetaldehyde (PubChem CID 105465008) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-(5-cyclopentyl-5-methyl-3-oxo-1,2-oxazolidin-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(5-cyclopentyl-5-methyl-3-oxo-1,2-oxazolidin-2-yl)acetaldehyde
PubChem CID105465008
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name2-(5-cyclopentyl-5-methyl-3-oxo-1,2-oxazolidin-2-yl)acetaldehyde
SMILESCC1(C2CCCC2)CC(=O)N(CC=O)O1
InChIInChI=1S/C11H17NO3/c1-11(9-4-2-3-5-9)8-10(14)12(15-11)6-7-13/h7,9H,2-6,8H2,1H3
InChIKeyJWBDOGOIKMTQEJ-UHFFFAOYSA-N
XLogP1.30
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-(5-cyclopropyl-5-methyl-3-oxo-1,2-oxazolidin-2-yl)propanal
CID 105450641
5-cyclobutyl-2-(3-hydroxypropyl)-5-methyl-1,2-oxazolidin-3-one
CID 105466800
2-(3-cyclopropyl-3-methyl-5-oxopyrazolidin-1-yl)acetaldehyde
CID 105440082
3-(5,5-dimethyl-3-oxo-1,2-oxazolidin-2-yl)propanal
CID 105434715
(2R)-2-cyclohexyl-2-methyloxirane
CID 101039402
ethane;2-ethyl-5,5-dimethyl-1,2-oxazolidin-3-one
CID 177197066
2-(2-propylpiperidin-1-yl)acetaldehyde
CID 83056562
2-(7-hydroxy-8,8-dimethyl-2-azabicyclo[4.2.0]octan-2-yl)acetaldehyde
CID 164651652
6-(piperidin-2-ylmethyl)-5-oxa-6-azaspiro[3.4]octan-7-one
CID 105482203
(7R)-1-methyl-7-prop-2-enylazepan-2-one
CID 59072764
2-(2-cyclopentyl-3-oxopyrazolidin-1-yl)acetaldehyde
CID 105450040
2-cyclohexyl-4-methoxy-2-methyloxetane
CID 123235119

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopentyl-5-methyl-3-oxo-1,2-oxazolidin-2-yl)acetaldehyde?
The IUPAC name of 2-(5-cyclopentyl-5-methyl-3-oxo-1,2-oxazolidin-2-yl)acetaldehyde (CID 105465008) is 2-(5-cyclopentyl-5-methyl-3-oxo-1,2-oxazolidin-2-yl)acetaldehyde.
What is the SMILES notation for 2-(5-cyclopentyl-5-methyl-3-oxo-1,2-oxazolidin-2-yl)acetaldehyde?
The canonical SMILES for 2-(5-cyclopentyl-5-methyl-3-oxo-1,2-oxazolidin-2-yl)acetaldehyde is CC1(C2CCCC2)CC(=O)N(CC=O)O1.
What is the InChIKey of 2-(5-cyclopentyl-5-methyl-3-oxo-1,2-oxazolidin-2-yl)acetaldehyde?
The InChIKey is JWBDOGOIKMTQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-11(9-4-2-3-5-9)8-10(14)12(15-11)6-7-13/h7,9H,2-6,8H2,1H3.
What are the key properties of 2-(5-cyclopentyl-5-methyl-3-oxo-1,2-oxazolidin-2-yl)acetaldehyde?
2-(5-cyclopentyl-5-methyl-3-oxo-1,2-oxazolidin-2-yl)acetaldehyde has a molecular weight of 211.26 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopentyl-5-methyl-3-oxo-1,2-oxazolidin-2-yl)acetaldehyde is sourced from PubChem (CID 105465008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).