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

C12H19NO2 — CID 123744849

IUPAC5-methyl-3-pent-4-enyl-4-prop-2-enyl-1,3-oxazolidin-2-one
SMILESC=CCCCN1C(=O)OC(C)C1CC=C
InChIInChI=1S/C12H19NO2/c1-4-6-7-9-13-11(8-5-2)10(3)15-12(13)14/h4-5,10-11H,1-2,6-9H2,3H3
InChIKeyDHGFDVYPWOBPEC-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.74
Rot. Bonds6

About 5-methyl-3-pent-4-enyl-4-prop-2-enyl-1,3-oxazolidin-2-one

5-methyl-3-pent-4-enyl-4-prop-2-enyl-1,3-oxazolidin-2-one (PubChem CID 123744849) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 5-methyl-3-pent-4-enyl-4-prop-2-enyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-methyl-3-pent-4-enyl-4-prop-2-enyl-1,3-oxazolidin-2-one
PubChem CID123744849
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name5-methyl-3-pent-4-enyl-4-prop-2-enyl-1,3-oxazolidin-2-one
SMILESC=CCCCN1C(=O)OC(C)C1CC=C
InChIInChI=1S/C12H19NO2/c1-4-6-7-9-13-11(8-5-2)10(3)15-12(13)14/h4-5,10-11H,1-2,6-9H2,3H3
InChIKeyDHGFDVYPWOBPEC-UHFFFAOYSA-N
XLogP2.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,8aS)-1-ethyl-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
CID 11263711
(4R)-3-but-3-enyl-4-(1,1-difluorobut-3-enyl)-1,3-oxazolidin-2-one
CID 11195600
tert-Butyl-(4S)-4-(1-fluoroprop-2-en-1-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 57801768
Tert-butyl 3-fluoro-4-pent-4-enoxypyrrolidine-1-carboxylate
CID 172275791
tert-butyl (3R,4S)-3-fluoro-4-pent-4-enoxypyrrolidine-1-carboxylate
CID 172276096
tert-butyl (3S,4S)-3-fluoro-4-pent-4-enoxypyrrolidine-1-carboxylate
CID 172276199
tert-butyl (3R,4R)-3-fluoro-4-pent-4-enoxypyrrolidine-1-carboxylate
CID 172276450
4-(3,3-Difluoroprop-2-enyl)-3-pentyl-1,3-oxazolidin-2-one
CID 175066951
4-(1,3-Difluoroprop-2-enyl)-3-pentyl-1,3-oxazolidin-2-one
CID 175066952
(1R,8aR)-1-methyl-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
CID 11768774
(4R,5R)-5-methyl-3-pent-4-enyl-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 101807711
3-Hex-5-en-3-yl-1,3-oxazolidin-2-one
CID 10678717

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-pent-4-enyl-4-prop-2-enyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-methyl-3-pent-4-enyl-4-prop-2-enyl-1,3-oxazolidin-2-one (CID 123744849) is 5-methyl-3-pent-4-enyl-4-prop-2-enyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-methyl-3-pent-4-enyl-4-prop-2-enyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-methyl-3-pent-4-enyl-4-prop-2-enyl-1,3-oxazolidin-2-one is C=CCCCN1C(=O)OC(C)C1CC=C.
What is the InChIKey of 5-methyl-3-pent-4-enyl-4-prop-2-enyl-1,3-oxazolidin-2-one?
The InChIKey is DHGFDVYPWOBPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-4-6-7-9-13-11(8-5-2)10(3)15-12(13)14/h4-5,10-11H,1-2,6-9H2,3H3.
What are the key properties of 5-methyl-3-pent-4-enyl-4-prop-2-enyl-1,3-oxazolidin-2-one?
5-methyl-3-pent-4-enyl-4-prop-2-enyl-1,3-oxazolidin-2-one has a molecular weight of 209.29 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-pent-4-enyl-4-prop-2-enyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 123744849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).