(4S)-3-pent-4-enoyl-4-propan-2-yl-1,3-oxazolidin-2-one

C11H17NO3 — CID 11820460

IUPAC(4S)-3-pent-4-enoyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC=CCCC(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C11H17NO3/c1-4-5-6-10(13)12-9(8(2)3)7-15-11(12)14/h4,8-9H,1,5-7H2,2-3H3/t9-/m1/s1
InChIKeyKGVIGZKSYUPUIP-SECBINFHSA-N
MW211.26 g/mol
LogP1.96
Rot. Bonds4

About (4S)-3-pent-4-enoyl-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-pent-4-enoyl-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 11820460) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is (4S)-3-pent-4-enoyl-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-pent-4-enoyl-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID11820460
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name(4S)-3-pent-4-enoyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC=CCCC(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C11H17NO3/c1-4-5-6-10(13)12-9(8(2)3)7-15-11(12)14/h4,8-9H,1,5-7H2,2-3H3/t9-/m1/s1
InChIKeyKGVIGZKSYUPUIP-SECBINFHSA-N
XLogP1.96
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4S)-3-pent-4-enoyl-4-propan-2-yl-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-3-(2-fluorobut-3-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 135027485
(4S)-3-Butanoyl-4-(propan-2-yl)-1,3-oxazolidin-2-one
CID 10330387
(S)-4-Isopropyl-3-(3-methylbutanoyl)oxazolidin-2-one
CID 10856824
(S)-3-Hept-6-enoyl-4-isopropyl-oxazolidin-2-one
CID 11053746
(4S)-3-[(E)-5-methylhex-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11651639
3-[(E)-oct-4-enoyl]-1,3-oxazolidin-2-one
CID 166444313
2-methylpropyl 2-[4-[(Z)-2-fluoroethenyl]-2-oxopyrrolidin-1-yl]butanoate
CID 66725987
2-Methylpropyl 2-[4-(2-fluoroethenyl)-2-oxopyrrolidin-1-yl]butanoate
CID 66725988
3-(3-Methylbutanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10262635
3-Butanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10375504
(4R)-3-butanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 12892327
3-(3-Methylhex-5-enoyl)-1,3-oxazolidin-2-one
CID 14972443

Frequently Asked Questions

What is the IUPAC name of (4S)-3-pent-4-enoyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-pent-4-enoyl-4-propan-2-yl-1,3-oxazolidin-2-one (CID 11820460) is (4S)-3-pent-4-enoyl-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-pent-4-enoyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-pent-4-enoyl-4-propan-2-yl-1,3-oxazolidin-2-one is C=CCCC(=O)N1C(=O)OC[C@@H]1C(C)C.
What is the InChIKey of (4S)-3-pent-4-enoyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is KGVIGZKSYUPUIP-SECBINFHSA-N. The full InChI is InChI=1S/C11H17NO3/c1-4-5-6-10(13)12-9(8(2)3)7-15-11(12)14/h4,8-9H,1,5-7H2,2-3H3/t9-/m1/s1.
What are the key properties of (4S)-3-pent-4-enoyl-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-pent-4-enoyl-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 211.26 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-pent-4-enoyl-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11820460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).