(4S,5R)-5-[(2S)-but-3-en-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

C10H17NO2 — CID 10261781

IUPAC(4S,5R)-5-[(2S)-but-3-en-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC=C[C@H](C)[C@H]1OC(=O)N[C@H]1C(C)C
InChIInChI=1S/C10H17NO2/c1-5-7(4)9-8(6(2)3)11-10(12)13-9/h5-9H,1H2,2-4H3,(H,11,12)/t7-,8-,9+/m0/s1
InChIKeyLLLCVFAQBLAGBG-XHNCKOQMSA-N
MW183.25 g/mol
LogP1.94
Rot. Bonds3

About (4S,5R)-5-[(2S)-but-3-en-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S,5R)-5-[(2S)-but-3-en-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 10261781) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (4S,5R)-5-[(2S)-but-3-en-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-5-[(2S)-but-3-en-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID10261781
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(4S,5R)-5-[(2S)-but-3-en-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC=C[C@H](C)[C@H]1OC(=O)N[C@H]1C(C)C
InChIInChI=1S/C10H17NO2/c1-5-7(4)9-8(6(2)3)11-10(12)13-9/h5-9H,1H2,2-4H3,(H,11,12)/t7-,8-,9+/m0/s1
InChIKeyLLLCVFAQBLAGBG-XHNCKOQMSA-N
XLogP1.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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,5R)-5-[(2S)-but-3-en-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-5-[(2S)-but-3-en-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 10261781) is (4S,5R)-5-[(2S)-but-3-en-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-5-[(2S)-but-3-en-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-5-[(2S)-but-3-en-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is C=C[C@H](C)[C@H]1OC(=O)N[C@H]1C(C)C.
What is the InChIKey of (4S,5R)-5-[(2S)-but-3-en-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is LLLCVFAQBLAGBG-XHNCKOQMSA-N. The full InChI is InChI=1S/C10H17NO2/c1-5-7(4)9-8(6(2)3)11-10(12)13-9/h5-9H,1H2,2-4H3,(H,11,12)/t7-,8-,9+/m0/s1.
What are the key properties of (4S,5R)-5-[(2S)-but-3-en-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S,5R)-5-[(2S)-but-3-en-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 183.25 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-[(2S)-but-3-en-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10261781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).