(4S)-3-[(E)-3,3-dimethylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C12H21NO2 — CID 24776616

IUPAC(4S)-3-[(E)-3,3-dimethylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1/C=C/C(C)(C)C
InChIInChI=1S/C12H21NO2/c1-9(2)10-8-15-11(14)13(10)7-6-12(3,4)5/h6-7,9-10H,8H2,1-5H3/b7-6+/t10-/m1/s1
InChIKeyACIASOMYKMJUBS-VQCYPWCPSA-N
MW211.30 g/mol
LogP3.02
Rot. Bonds2

About (4S)-3-[(E)-3,3-dimethylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[(E)-3,3-dimethylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 24776616) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is (4S)-3-[(E)-3,3-dimethylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(E)-3,3-dimethylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID24776616
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name(4S)-3-[(E)-3,3-dimethylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1/C=C/C(C)(C)C
InChIInChI=1S/C12H21NO2/c1-9(2)10-8-15-11(14)13(10)7-6-12(3,4)5/h6-7,9-10H,8H2,1-5H3/b7-6+/t10-/m1/s1
InChIKeyACIASOMYKMJUBS-VQCYPWCPSA-N
XLogP3.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(E)-3,3-dimethylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(E)-3,3-dimethylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 24776616) is (4S)-3-[(E)-3,3-dimethylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(E)-3,3-dimethylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(E)-3,3-dimethylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1/C=C/C(C)(C)C.
What is the InChIKey of (4S)-3-[(E)-3,3-dimethylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is ACIASOMYKMJUBS-VQCYPWCPSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9(2)10-8-15-11(14)13(10)7-6-12(3,4)5/h6-7,9-10H,8H2,1-5H3/b7-6+/t10-/m1/s1.
What are the key properties of (4S)-3-[(E)-3,3-dimethylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(E)-3,3-dimethylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 211.30 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(E)-3,3-dimethylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 24776616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).