3-acetyl-4-(2-methylpropyl)-2-non-3-enyl-1,3-oxazolidin-5-one

C18H31NO3 — CID 177182677

IUPAC3-acetyl-4-(2-methylpropyl)-2-non-3-enyl-1,3-oxazolidin-5-one
SMILESCCCCCC=CCCC1OC(=O)C(CC(C)C)N1C(C)=O
InChIInChI=1S/C18H31NO3/c1-5-6-7-8-9-10-11-12-17-19(15(4)20)16(13-14(2)3)18(21)22-17/h9-10,14,16-17H,5-8,11-13H2,1-4H3
InChIKeyVFTNQLNSPCMQDM-UHFFFAOYSA-N
MW309.45 g/mol
LogP4.05
Rot. Bonds9

About 3-acetyl-4-(2-methylpropyl)-2-non-3-enyl-1,3-oxazolidin-5-one

3-acetyl-4-(2-methylpropyl)-2-non-3-enyl-1,3-oxazolidin-5-one (PubChem CID 177182677) has the molecular formula C18H31NO3 and a molecular weight of 309.45 g/mol. Its IUPAC name is 3-acetyl-4-(2-methylpropyl)-2-non-3-enyl-1,3-oxazolidin-5-one.

Molecular Properties

Compound Name3-acetyl-4-(2-methylpropyl)-2-non-3-enyl-1,3-oxazolidin-5-one
PubChem CID177182677
Molecular FormulaC18H31NO3
Molecular Weight309.45 g/mol
Exact Mass309.23
IUPAC Name3-acetyl-4-(2-methylpropyl)-2-non-3-enyl-1,3-oxazolidin-5-one
SMILESCCCCCC=CCCC1OC(=O)C(CC(C)C)N1C(C)=O
InChIInChI=1S/C18H31NO3/c1-5-6-7-8-9-10-11-12-17-19(15(4)20)16(13-14(2)3)18(21)22-17/h9-10,14,16-17H,5-8,11-13H2,1-4H3
InChIKeyVFTNQLNSPCMQDM-UHFFFAOYSA-N
XLogP4.05
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

4-non-3-enyloxetan-2-one
CID 78148877
3-dodec-1-enyl-4-hydroxy-5-methyloxolan-2-one
CID 162927797
(3S,4R,5R)-3-dodec-1-enyl-4-hydroxy-5-methyloxolan-2-one
CID 162927798
acetic acid;(E)-tetradec-7-ene
CID 174697247
3,4-bis(henicos-1-enyl)oxolane-2,5-dione
CID 139774485
3-(2-phenylacetyl)-2-undec-3-enyl-1,3-oxazolidin-5-one
CID 177182645
(2S)-4-acetyl-1-decyl-3-hydroxy-2-(2-methylpropyl)-2H-pyrrol-5-one
CID 54693640
1,2-diacetyl-4-octadec-9-enyl-1,2,4-triazolidine-3,5-dione
CID 70420737
(3S,4S)-3-hexyl-4-[(E,2R)-2-hydroxytridec-5-enyl]oxetan-2-one
CID 101414834
(3S,4S)-3-hexyl-4-(2-hydroxytridec-5-enyl)oxetan-2-one
CID 173122595
3-oct-1-enyloxiran-2-one
CID 90850629
1-butyl-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione
CID 64873181

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-4-(2-methylpropyl)-2-non-3-enyl-1,3-oxazolidin-5-one?
The IUPAC name of 3-acetyl-4-(2-methylpropyl)-2-non-3-enyl-1,3-oxazolidin-5-one (CID 177182677) is 3-acetyl-4-(2-methylpropyl)-2-non-3-enyl-1,3-oxazolidin-5-one.
What is the SMILES notation for 3-acetyl-4-(2-methylpropyl)-2-non-3-enyl-1,3-oxazolidin-5-one?
The canonical SMILES for 3-acetyl-4-(2-methylpropyl)-2-non-3-enyl-1,3-oxazolidin-5-one is CCCCCC=CCCC1OC(=O)C(CC(C)C)N1C(C)=O.
What is the InChIKey of 3-acetyl-4-(2-methylpropyl)-2-non-3-enyl-1,3-oxazolidin-5-one?
The InChIKey is VFTNQLNSPCMQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO3/c1-5-6-7-8-9-10-11-12-17-19(15(4)20)16(13-14(2)3)18(21)22-17/h9-10,14,16-17H,5-8,11-13H2,1-4H3.
What are the key properties of 3-acetyl-4-(2-methylpropyl)-2-non-3-enyl-1,3-oxazolidin-5-one?
3-acetyl-4-(2-methylpropyl)-2-non-3-enyl-1,3-oxazolidin-5-one has a molecular weight of 309.45 g/mol, XLogP of 4.05, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-4-(2-methylpropyl)-2-non-3-enyl-1,3-oxazolidin-5-one is sourced from PubChem (CID 177182677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).