(4R)-5,5-dimethyl-3-[(2R)-2-methylhex-5-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C15H25NO3 — CID 139192332

IUPAC(4R)-5,5-dimethyl-3-[(2R)-2-methylhex-5-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC=CCC[C@@H](C)C(=O)N1C(=O)OC(C)(C)[C@H]1C(C)C
InChIInChI=1S/C15H25NO3/c1-7-8-9-11(4)13(17)16-12(10(2)3)15(5,6)19-14(16)18/h7,10-12H,1,8-9H2,2-6H3/t11-,12-/m1/s1
InChIKeyKTYUOTTWDMDKNY-VXGBXAGGSA-N
MW267.37 g/mol
LogP3.37
Rot. Bonds5

About (4R)-5,5-dimethyl-3-[(2R)-2-methylhex-5-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4R)-5,5-dimethyl-3-[(2R)-2-methylhex-5-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 139192332) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is (4R)-5,5-dimethyl-3-[(2R)-2-methylhex-5-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-5,5-dimethyl-3-[(2R)-2-methylhex-5-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID139192332
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name(4R)-5,5-dimethyl-3-[(2R)-2-methylhex-5-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC=CCC[C@@H](C)C(=O)N1C(=O)OC(C)(C)[C@H]1C(C)C
InChIInChI=1S/C15H25NO3/c1-7-8-9-11(4)13(17)16-12(10(2)3)15(5,6)19-14(16)18/h7,10-12H,1,8-9H2,2-6H3/t11-,12-/m1/s1
InChIKeyKTYUOTTWDMDKNY-VXGBXAGGSA-N
XLogP3.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4R)-5,5-dimethyl-3-[(2R)-2-methylhex-5-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(S)-3-Hept-6-enoyl-4-isopropyl-oxazolidin-2-one
CID 11053746
(S)-4-isopropyl-3-(4-pentenoyl)-oxazolidin-2-one
CID 11820460
tert-butyl (2R)-2-ethenyl-5-oxopyrrolidine-1-carboxylate
CID 45113886
tert-butyl (3R,5S)-3-ethenyl-5-(2-methylpropyl)-2-oxopyrrolidine-1-carboxylate
CID 46176901
(4S)-5,5-dimethyl-3-(3-methyl-2-methylidenebutanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 101367509
(4S)-4-propan-2-yl-3-[(2R)-2-propan-2-ylpent-4-enoyl]-1,3-oxazolidin-2-one
CID 134855138
Tert-butyl 2-oxo-4-prop-2-enylpyrrolidine-1-carboxylate
CID 134881248
(4S)-3-[(1R,2S,6S)-2,6-dimethylcyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 134889365
tert-butyl (4S)-2-oxo-4-prop-2-enylpyrrolidine-1-carboxylate
CID 134895615
(4S)-3-[(1R)-cyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 134897625
(4S)-3-[(1R,2S)-2-methylcyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 134900882
(4S)-3-[(1S,6S)-6-methylcyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 134900885

Frequently Asked Questions

What is the IUPAC name of (4R)-5,5-dimethyl-3-[(2R)-2-methylhex-5-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-5,5-dimethyl-3-[(2R)-2-methylhex-5-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 139192332) is (4R)-5,5-dimethyl-3-[(2R)-2-methylhex-5-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-5,5-dimethyl-3-[(2R)-2-methylhex-5-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-5,5-dimethyl-3-[(2R)-2-methylhex-5-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is C=CCC[C@@H](C)C(=O)N1C(=O)OC(C)(C)[C@H]1C(C)C.
What is the InChIKey of (4R)-5,5-dimethyl-3-[(2R)-2-methylhex-5-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is KTYUOTTWDMDKNY-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H25NO3/c1-7-8-9-11(4)13(17)16-12(10(2)3)15(5,6)19-14(16)18/h7,10-12H,1,8-9H2,2-6H3/t11-,12-/m1/s1.
What are the key properties of (4R)-5,5-dimethyl-3-[(2R)-2-methylhex-5-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4R)-5,5-dimethyl-3-[(2R)-2-methylhex-5-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 267.37 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5,5-dimethyl-3-[(2R)-2-methylhex-5-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 139192332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).