(4S)-3-[(1R)-cyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C13H19NO3 — CID 134897625

IUPAC(4S)-3-[(1R)-cyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1C(=O)[C@H]1CC=CCC1
InChIInChI=1S/C13H19NO3/c1-9(2)11-8-17-13(16)14(11)12(15)10-6-4-3-5-7-10/h3-4,9-11H,5-8H2,1-2H3/t10-,11+/m0/s1
InChIKeyJBXZXJRBGNKOJP-WDEREUQCSA-N
MW237.30 g/mol
LogP2.35
Rot. Bonds2

About (4S)-3-[(1R)-cyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[(1R)-cyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 134897625) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is (4S)-3-[(1R)-cyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(1R)-cyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID134897625
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name(4S)-3-[(1R)-cyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1C(=O)[C@H]1CC=CCC1
InChIInChI=1S/C13H19NO3/c1-9(2)11-8-17-13(16)14(11)12(15)10-6-4-3-5-7-10/h3-4,9-11H,5-8H2,1-2H3/t10-,11+/m0/s1
InChIKeyJBXZXJRBGNKOJP-WDEREUQCSA-N
XLogP2.35
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.35
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)-cyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(1R)-cyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 134897625) is (4S)-3-[(1R)-cyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(1R)-cyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(1R)-cyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1C(=O)[C@H]1CC=CCC1.
What is the InChIKey of (4S)-3-[(1R)-cyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is JBXZXJRBGNKOJP-WDEREUQCSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9(2)11-8-17-13(16)14(11)12(15)10-6-4-3-5-7-10/h3-4,9-11H,5-8H2,1-2H3/t10-,11+/m0/s1.
What are the key properties of (4S)-3-[(1R)-cyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(1R)-cyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 237.30 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(1R)-cyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 134897625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).