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

C6H7NO3 — CID 98077110

IUPAC(2Z)-2-[(4S)-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-/m0/s1
InChIKeyKBLSMVFJNOSURV-RTDYNSIBSA-N
MW141.13 g/mol
LogP-0.44
Rot. Bonds1

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

(2Z)-2-[(4S)-4-methyl-5-oxo-1,3-oxazolidin-2-ylidene]acetaldehyde (PubChem CID 98077110) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is (2Z)-2-[(4S)-4-methyl-5-oxo-1,3-oxazolidin-2-ylidene]acetaldehyde.

Molecular Properties

Compound Name(2Z)-2-[(4S)-4-methyl-5-oxo-1,3-oxazolidin-2-ylidene]acetaldehyde
PubChem CID98077110
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Name(2Z)-2-[(4S)-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-/m0/s1
InChIKeyKBLSMVFJNOSURV-RTDYNSIBSA-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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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(4S)-4-methyl-5-oxo-1,3-oxazolidin-2-ylidene]acetaldehyde?
The IUPAC name of (2Z)-2-[(4S)-4-methyl-5-oxo-1,3-oxazolidin-2-ylidene]acetaldehyde (CID 98077110) is (2Z)-2-[(4S)-4-methyl-5-oxo-1,3-oxazolidin-2-ylidene]acetaldehyde.
What is the SMILES notation for (2Z)-2-[(4S)-4-methyl-5-oxo-1,3-oxazolidin-2-ylidene]acetaldehyde?
The canonical SMILES for (2Z)-2-[(4S)-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-[(4S)-4-methyl-5-oxo-1,3-oxazolidin-2-ylidene]acetaldehyde?
The InChIKey is KBLSMVFJNOSURV-RTDYNSIBSA-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-/m0/s1.
What are the key properties of (2Z)-2-[(4S)-4-methyl-5-oxo-1,3-oxazolidin-2-ylidene]acetaldehyde?
(2Z)-2-[(4S)-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-[(4S)-4-methyl-5-oxo-1,3-oxazolidin-2-ylidene]acetaldehyde is sourced from PubChem (CID 98077110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).