(2Z)-2-[(4R)-4-methyl-5-oxo-1,3-oxazolidin-2-ylidene]acetaldehyde

C6H7NO3 — CID 98077108

IUPAC(2Z)-2-[(4R)-4-methyl-5-oxo-1,3-oxazolidin-2-ylidene]acetaldehyde
SMILESC[C@H]1N/C(=C/C=O)OC1=O
InChIInChI=1S/C6H7NO3/c1-4-6(9)10-5(7-4)2-3-8/h2-4,7H,1H3/b5-2-/t4-/m1/s1
InChIKeyKBLSMVFJNOSURV-PLSQTASKSA-N
MW141.13 g/mol
LogP-0.44
Rot. Bonds1

About (2Z)-2-[(4R)-4-methyl-5-oxo-1,3-oxazolidin-2-ylidene]acetaldehyde

(2Z)-2-[(4R)-4-methyl-5-oxo-1,3-oxazolidin-2-ylidene]acetaldehyde (PubChem CID 98077108) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is (2Z)-2-[(4R)-4-methyl-5-oxo-1,3-oxazolidin-2-ylidene]acetaldehyde.

Molecular Properties

Compound Name(2Z)-2-[(4R)-4-methyl-5-oxo-1,3-oxazolidin-2-ylidene]acetaldehyde
PubChem CID98077108
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Name(2Z)-2-[(4R)-4-methyl-5-oxo-1,3-oxazolidin-2-ylidene]acetaldehyde
SMILESC[C@H]1N/C(=C/C=O)OC1=O
InChIInChI=1S/C6H7NO3/c1-4-6(9)10-5(7-4)2-3-8/h2-4,7H,1H3/b5-2-/t4-/m1/s1
InChIKeyKBLSMVFJNOSURV-PLSQTASKSA-N
XLogP-0.44
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(5-oxo-4-propan-2-yl-1,3-oxazolidin-2-ylidene)acetaldehyde
CID 91990513
(4S)-4-methyl-2-sulfanylidene-1,3-oxazolidin-5-one
CID 45086589
5-hydroxy-3-methyl-3,4-dihydro-1,4-benzoxazin-2-one
CID 115094796
6-amino-3-methyl-3,4-dihydro-1,4-benzoxazin-2-one
CID 115096284
3-methyl-2-oxo-3,4-dihydro-1,4-benzoxazine-7-carboxylic acid
CID 115096140
4-methylazetidine-2,3-dione
CID 141376893
(3S,4R)-4-cyclohexyl-3-methyloxetan-2-one
CID 11275238
3,6-dimethyl-1,4-dioxane-2,5-dione
CID 7272
3,6-dimethyl-1,4-dioxane-2,5-dione;(3S,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione
CID 156591924
(3S,6S,9S,12S,15S,18S,21S)-3,6,9,12,15,18,21-heptamethyl-1,4,7,10,13,16,19-heptaoxacyclohenicosane-2,5,8,11,14,17,20-heptone
CID 101423086
3,6-dimethyl-1,4-dioxane-2,5-dione;(3S,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione;(3R,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione;(3R,6R)-3,6-dimethyl-1,4-dioxane-2,5-dione
CID 163835572
(3S,6S,9R,12S,15S)-3,6,9,12,15-pentamethyl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 102149559

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(4R)-4-methyl-5-oxo-1,3-oxazolidin-2-ylidene]acetaldehyde?
The IUPAC name of (2Z)-2-[(4R)-4-methyl-5-oxo-1,3-oxazolidin-2-ylidene]acetaldehyde (CID 98077108) is (2Z)-2-[(4R)-4-methyl-5-oxo-1,3-oxazolidin-2-ylidene]acetaldehyde.
What is the SMILES notation for (2Z)-2-[(4R)-4-methyl-5-oxo-1,3-oxazolidin-2-ylidene]acetaldehyde?
The canonical SMILES for (2Z)-2-[(4R)-4-methyl-5-oxo-1,3-oxazolidin-2-ylidene]acetaldehyde is C[C@H]1N/C(=C/C=O)OC1=O.
What is the InChIKey of (2Z)-2-[(4R)-4-methyl-5-oxo-1,3-oxazolidin-2-ylidene]acetaldehyde?
The InChIKey is KBLSMVFJNOSURV-PLSQTASKSA-N. The full InChI is InChI=1S/C6H7NO3/c1-4-6(9)10-5(7-4)2-3-8/h2-4,7H,1H3/b5-2-/t4-/m1/s1.
What are the key properties of (2Z)-2-[(4R)-4-methyl-5-oxo-1,3-oxazolidin-2-ylidene]acetaldehyde?
(2Z)-2-[(4R)-4-methyl-5-oxo-1,3-oxazolidin-2-ylidene]acetaldehyde has a molecular weight of 141.13 g/mol, XLogP of -0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(4R)-4-methyl-5-oxo-1,3-oxazolidin-2-ylidene]acetaldehyde is sourced from PubChem (CID 98077108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).