(4S)-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidin-2-one

C11H15NO2 — CID 143195542

IUPAC(4S)-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidin-2-one
SMILESC=C/C=C(\C=C/C)C[C@H]1COC(=O)N1
InChIInChI=1S/C11H15NO2/c1-3-5-9(6-4-2)7-10-8-14-11(13)12-10/h3-6,10H,1,7-8H2,2H3,(H,12,13)/b6-4-,9-5+/t10-/m0/s1
InChIKeyCLBFPCMWKFISOX-FZQUQDSWSA-N
MW193.25 g/mol
LogP2.17
Rot. Bonds4

About (4S)-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidin-2-one

(4S)-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidin-2-one (PubChem CID 143195542) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (4S)-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidin-2-one
PubChem CID143195542
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(4S)-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidin-2-one
SMILESC=C/C=C(\C=C/C)C[C@H]1COC(=O)N1
InChIInChI=1S/C11H15NO2/c1-3-5-9(6-4-2)7-10-8-14-11(13)12-10/h3-6,10H,1,7-8H2,2H3,(H,12,13)/b6-4-,9-5+/t10-/m0/s1
InChIKeyCLBFPCMWKFISOX-FZQUQDSWSA-N
XLogP2.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4S)-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4R)-4-(2-methylbuta-2,3-dienyl)-1,3-oxazolidin-2-one
CID 15420012
(4S)-4-[(2R)-4-methylpent-3-en-2-yl]-1,3-oxazolidin-2-one
CID 101175355
(4S)-4-(3-methylbut-2-enyl)-1,3-oxazolidin-2-one
CID 162410724
(4R)-4-but-3-enyl-1,3-oxazolidin-2-one
CID 640426
4-But-3-enyl-1,3-oxazolidin-2-one
CID 21673738
(4S)-4-(2-methylprop-2-enyl)-1,3-oxazolidin-2-one
CID 57463978
4-(2-Methylprop-2-enyl)-1,3-oxazolidin-2-one
CID 69527292
lithium (4S)-4-(phenylmethyl)-1,3-oxazolidin-2-one
CID 88415529
(4S)-4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-1,3-oxazolidin-2-one
CID 89265464
(4S)-4-cyclohexa-2,4-dien-1-yl-1,3-oxazolidin-2-one
CID 89326941
4-methyl-5-[(3E)-penta-1,3-dien-3-yl]-1,3-oxazolidin-2-one
CID 89346252
4-(2-Methylbut-2-enyl)-1,3-oxazolidin-2-one
CID 90830770

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidin-2-one (CID 143195542) is (4S)-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidin-2-one is C=C/C=C(\C=C/C)C[C@H]1COC(=O)N1.
What is the InChIKey of (4S)-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidin-2-one?
The InChIKey is CLBFPCMWKFISOX-FZQUQDSWSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-5-9(6-4-2)7-10-8-14-11(13)12-10/h3-6,10H,1,7-8H2,2H3,(H,12,13)/b6-4-,9-5+/t10-/m0/s1.
What are the key properties of (4S)-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidin-2-one?
(4S)-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidin-2-one has a molecular weight of 193.25 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 143195542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).