3-methyl-4-pent-1-enyl-1,3-oxazolidin-2-one

C9H15NO2 — CID 91515295

IUPAC3-methyl-4-pent-1-enyl-1,3-oxazolidin-2-one
SMILESCCCC=CC1COC(=O)N1C
InChIInChI=1S/C9H15NO2/c1-3-4-5-6-8-7-12-9(11)10(8)2/h5-6,8H,3-4,7H2,1-2H3
InChIKeyZNIUPPXMYAEILS-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.79
Rot. Bonds3

About 3-methyl-4-pent-1-enyl-1,3-oxazolidin-2-one

3-methyl-4-pent-1-enyl-1,3-oxazolidin-2-one (PubChem CID 91515295) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 3-methyl-4-pent-1-enyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-methyl-4-pent-1-enyl-1,3-oxazolidin-2-one
PubChem CID91515295
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name3-methyl-4-pent-1-enyl-1,3-oxazolidin-2-one
SMILESCCCC=CC1COC(=O)N1C
InChIInChI=1S/C9H15NO2/c1-3-4-5-6-8-7-12-9(11)10(8)2/h5-6,8H,3-4,7H2,1-2H3
InChIKeyZNIUPPXMYAEILS-UHFFFAOYSA-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

Vinyl-Methyl-Oxazolidinon
CID 13928327
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
tert-butyl (4S)-4-[(E)-3-fluoroprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11207668
(1R)-1-methyl-1,5,6,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
CID 90662201
1-Methyl-1,5,6,8a-tetrahydro[1,3]oxazolo[3,4-a]pyridin-3-one
CID 357875
(9Z,10aS)-1,5,6,7,8,10a-hexahydro-[1,3]oxazolo[3,4-a]azocin-3-one
CID 10986638
4-methyl-3-[(Z)-pent-2-enyl]-1,3-oxazolidin-2-one
CID 42643977

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-pent-1-enyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-methyl-4-pent-1-enyl-1,3-oxazolidin-2-one (CID 91515295) is 3-methyl-4-pent-1-enyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-methyl-4-pent-1-enyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-methyl-4-pent-1-enyl-1,3-oxazolidin-2-one is CCCC=CC1COC(=O)N1C.
What is the InChIKey of 3-methyl-4-pent-1-enyl-1,3-oxazolidin-2-one?
The InChIKey is ZNIUPPXMYAEILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-4-5-6-8-7-12-9(11)10(8)2/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 3-methyl-4-pent-1-enyl-1,3-oxazolidin-2-one?
3-methyl-4-pent-1-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 3-methyl-4-pent-1-enyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 91515295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).