(4S)-3-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)-4-propan-2-yl-1,3-oxazolidin-2-one

C14H19NO3 — CID 135003384

IUPAC(4S)-3-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1C(=O)C1CC2C=CC1C2
InChIInChI=1S/C14H19NO3/c1-8(2)12-7-18-14(17)15(12)13(16)11-6-9-3-4-10(11)5-9/h3-4,8-12H,5-7H2,1-2H3/t9?,10?,11?,12-/m1/s1
InChIKeyVVBPXUPGXQBYIS-XHUCQOSOSA-N
MW249.31 g/mol
LogP2.20
Rot. Bonds2

About (4S)-3-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 135003384) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (4S)-3-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID135003384
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(4S)-3-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1C(=O)C1CC2C=CC1C2
InChIInChI=1S/C14H19NO3/c1-8(2)12-7-18-14(17)15(12)13(16)11-6-9-3-4-10(11)5-9/h3-4,8-12H,5-7H2,1-2H3/t9?,10?,11?,12-/m1/s1
InChIKeyVVBPXUPGXQBYIS-XHUCQOSOSA-N
XLogP2.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.20
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-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)-4-propan-2-yl-1,3-oxazolidin-2-one (CID 135003384) is (4S)-3-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1C(=O)C1CC2C=CC1C2.
What is the InChIKey of (4S)-3-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is VVBPXUPGXQBYIS-XHUCQOSOSA-N. The full InChI is InChI=1S/C14H19NO3/c1-8(2)12-7-18-14(17)15(12)13(16)11-6-9-3-4-10(11)5-9/h3-4,8-12H,5-7H2,1-2H3/t9?,10?,11?,12-/m1/s1.
What are the key properties of (4S)-3-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 249.31 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 135003384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).