(4S)-3-[(1R,2S)-2-ethenyl-1,2-diethylcyclopropanecarbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C16H25NO3 — CID 139191668

IUPAC(4S)-3-[(1R,2S)-2-ethenyl-1,2-diethylcyclopropanecarbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC=C[C@]1(CC)C[C@@]1(CC)C(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C16H25NO3/c1-6-15(7-2)10-16(15,8-3)13(18)17-12(11(4)5)9-20-14(17)19/h6,11-12H,1,7-10H2,2-5H3/t12-,15+,16+/m1/s1
InChIKeyCDCKIDZZUCNCPT-KCXAZCMYSA-N
MW279.38 g/mol
LogP3.37
Rot. Bonds5

About (4S)-3-[(1R,2S)-2-ethenyl-1,2-diethylcyclopropanecarbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[(1R,2S)-2-ethenyl-1,2-diethylcyclopropanecarbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 139191668) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is (4S)-3-[(1R,2S)-2-ethenyl-1,2-diethylcyclopropanecarbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(1R,2S)-2-ethenyl-1,2-diethylcyclopropanecarbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID139191668
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name(4S)-3-[(1R,2S)-2-ethenyl-1,2-diethylcyclopropanecarbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC=C[C@]1(CC)C[C@@]1(CC)C(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C16H25NO3/c1-6-15(7-2)10-16(15,8-3)13(18)17-12(11(4)5)9-20-14(17)19/h6,11-12H,1,7-10H2,2-5H3/t12-,15+,16+/m1/s1
InChIKeyCDCKIDZZUCNCPT-KCXAZCMYSA-N
XLogP3.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(1R,2S)-2-ethenyl-1,2-diethylcyclopropanecarbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(1R,2S)-2-ethenyl-1,2-diethylcyclopropanecarbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 139191668) is (4S)-3-[(1R,2S)-2-ethenyl-1,2-diethylcyclopropanecarbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(1R,2S)-2-ethenyl-1,2-diethylcyclopropanecarbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(1R,2S)-2-ethenyl-1,2-diethylcyclopropanecarbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one is C=C[C@]1(CC)C[C@@]1(CC)C(=O)N1C(=O)OC[C@@H]1C(C)C.
What is the InChIKey of (4S)-3-[(1R,2S)-2-ethenyl-1,2-diethylcyclopropanecarbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is CDCKIDZZUCNCPT-KCXAZCMYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-6-15(7-2)10-16(15,8-3)13(18)17-12(11(4)5)9-20-14(17)19/h6,11-12H,1,7-10H2,2-5H3/t12-,15+,16+/m1/s1.
What are the key properties of (4S)-3-[(1R,2S)-2-ethenyl-1,2-diethylcyclopropanecarbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(1R,2S)-2-ethenyl-1,2-diethylcyclopropanecarbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 279.38 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(1R,2S)-2-ethenyl-1,2-diethylcyclopropanecarbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 139191668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).