3-(2-but-3-en-2-yl-5-methylhexanoyl)-1,3-oxazolidin-2-one

C14H23NO3 — CID 101202984

IUPAC3-(2-but-3-en-2-yl-5-methylhexanoyl)-1,3-oxazolidin-2-one
SMILESC=CC(C)C(CCC(C)C)C(=O)N1CCOC1=O
InChIInChI=1S/C14H23NO3/c1-5-11(4)12(7-6-10(2)3)13(16)15-8-9-18-14(15)17/h5,10-12H,1,6-9H2,2-4H3
InChIKeyZXNIVEHDIRDKAO-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.84
Rot. Bonds6

About 3-(2-but-3-en-2-yl-5-methylhexanoyl)-1,3-oxazolidin-2-one

3-(2-but-3-en-2-yl-5-methylhexanoyl)-1,3-oxazolidin-2-one (PubChem CID 101202984) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-(2-but-3-en-2-yl-5-methylhexanoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2-but-3-en-2-yl-5-methylhexanoyl)-1,3-oxazolidin-2-one
PubChem CID101202984
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name3-(2-but-3-en-2-yl-5-methylhexanoyl)-1,3-oxazolidin-2-one
SMILESC=CC(C)C(CCC(C)C)C(=O)N1CCOC1=O
InChIInChI=1S/C14H23NO3/c1-5-11(4)12(7-6-10(2)3)13(16)15-8-9-18-14(15)17/h5,10-12H,1,6-9H2,2-4H3
InChIKeyZXNIVEHDIRDKAO-UHFFFAOYSA-N
XLogP2.84
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Oxazolidinone, 3-[(4-methyl-3-cyclohexen-1-yl)carbonyl]-
CID 11735941
3-(3-Ethylbicyclo[2.2.1]hept-5-ene-2-carbonyl)-1,3-oxazolidin-2-one
CID 85213600
3-(2-Prop-1-en-2-ylcyclopentanecarbonyl)-1,3-oxazolidin-2-one
CID 101363299
(4S)-3-[(1R,2S)-2-ethenyl-1,2-diethylcyclopropanecarbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 139191668
(S)-3-Hept-6-enoyl-4-isopropyl-oxazolidin-2-one
CID 11053746
3-[(1R)-4-methylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
CID 14907283
(4S)-3-[(2S)-2,6-Dimethyl-hept-6-enoyl)-4-isopropyl-oxazolidin-2-one
CID 11010979
3-(3-Propylbicyclo[2.2.1]hept-5-ene-2-carbonyl)-1,3-oxazolidin-2-one
CID 13634611
(S)-4-Isopropyl-3-(6-methylhept-6-enoyl)-oxazolidin-2-one
CID 18393304
3-(6-Methylhept-6-enoyl)-1,3-oxazolidin-2-one
CID 69202554
3-Hept-6-enoyl-1,3-oxazolidin-2-one
CID 91622577
3-[(2R)-2-(2,2-dimethylpropyl)pent-4-enoyl]-1,3-oxazolidin-2-one
CID 10857564

Frequently Asked Questions

What is the IUPAC name of 3-(2-but-3-en-2-yl-5-methylhexanoyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2-but-3-en-2-yl-5-methylhexanoyl)-1,3-oxazolidin-2-one (CID 101202984) is 3-(2-but-3-en-2-yl-5-methylhexanoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2-but-3-en-2-yl-5-methylhexanoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2-but-3-en-2-yl-5-methylhexanoyl)-1,3-oxazolidin-2-one is C=CC(C)C(CCC(C)C)C(=O)N1CCOC1=O.
What is the InChIKey of 3-(2-but-3-en-2-yl-5-methylhexanoyl)-1,3-oxazolidin-2-one?
The InChIKey is ZXNIVEHDIRDKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-5-11(4)12(7-6-10(2)3)13(16)15-8-9-18-14(15)17/h5,10-12H,1,6-9H2,2-4H3.
What are the key properties of 3-(2-but-3-en-2-yl-5-methylhexanoyl)-1,3-oxazolidin-2-one?
3-(2-but-3-en-2-yl-5-methylhexanoyl)-1,3-oxazolidin-2-one has a molecular weight of 253.34 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-but-3-en-2-yl-5-methylhexanoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 101202984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).