4-methyl-3-[(Z)-pent-2-enyl]-1,3-oxazolidin-2-one

C9H15NO2 — CID 42643977

IUPAC4-methyl-3-[(Z)-pent-2-enyl]-1,3-oxazolidin-2-one
SMILESCC/C=C\CN1C(=O)OCC1C
InChIInChI=1S/C9H15NO2/c1-3-4-5-6-10-8(2)7-12-9(10)11/h4-5,8H,3,6-7H2,1-2H3/b5-4-
InChIKeyKWBHIJGMWYXBAG-PLNGDYQASA-N
MW169.22 g/mol
LogP1.79
Rot. Bonds3

About 4-methyl-3-[(Z)-pent-2-enyl]-1,3-oxazolidin-2-one

4-methyl-3-[(Z)-pent-2-enyl]-1,3-oxazolidin-2-one (PubChem CID 42643977) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 4-methyl-3-[(Z)-pent-2-enyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-methyl-3-[(Z)-pent-2-enyl]-1,3-oxazolidin-2-one
PubChem CID42643977
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name4-methyl-3-[(Z)-pent-2-enyl]-1,3-oxazolidin-2-one
SMILESCC/C=C\CN1C(=O)OCC1C
InChIInChI=1S/C9H15NO2/c1-3-4-5-6-10-8(2)7-12-9(10)11/h4-5,8H,3,6-7H2,1-2H3/b5-4-
InChIKeyKWBHIJGMWYXBAG-PLNGDYQASA-N
XLogP1.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(E)-pent-2-enoyl]-1,3-oxazolidin-2-one
CID 10511334
3-(2-Hexenoyl)-2-oxazolidinone
CID 10997691
Vinyl-Methyl-Oxazolidinon
CID 13928327
(4R)-3-(3-fluorocyclohexa-1,5-dien-1-yl)-4-methyl-1,3-oxazolidin-2-one
CID 68234138
1,1-Dimethylethyl (4S)-2,2-dimethyl-4-(1Z)-1-propen-1-yl-3-oxazolidinecarboxylate
CID 11107506
5,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
CID 11344018
(1R,8aR)-1-methyl-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
CID 11768774
3-Hex-5-en-3-yl-1,3-oxazolidin-2-one
CID 10678717
(S)-1,7a-dihydropyrrolo[1,2-c]oxazol-3(5H)-one
CID 11535557
4-[(E)-but-1-enyl]-3-hydroxy-1,3-oxazolidin-2-one
CID 101805439
3-[(Z)-hex-2-enoyl]-1,3-oxazolidin-2-one
CID 124514514
N-methylallyloxazolidinone
CID 132280368

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(Z)-pent-2-enyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-methyl-3-[(Z)-pent-2-enyl]-1,3-oxazolidin-2-one (CID 42643977) is 4-methyl-3-[(Z)-pent-2-enyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-methyl-3-[(Z)-pent-2-enyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-methyl-3-[(Z)-pent-2-enyl]-1,3-oxazolidin-2-one is CC/C=C\CN1C(=O)OCC1C.
What is the InChIKey of 4-methyl-3-[(Z)-pent-2-enyl]-1,3-oxazolidin-2-one?
The InChIKey is KWBHIJGMWYXBAG-PLNGDYQASA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-4-5-6-10-8(2)7-12-9(10)11/h4-5,8H,3,6-7H2,1-2H3/b5-4-.
What are the key properties of 4-methyl-3-[(Z)-pent-2-enyl]-1,3-oxazolidin-2-one?
4-methyl-3-[(Z)-pent-2-enyl]-1,3-oxazolidin-2-one has a molecular weight of 169.22 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(Z)-pent-2-enyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 42643977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).