methyl 5-[(E)-hex-4-en-2-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate

C12H19NO4 — CID 14039819

IUPACmethyl 5-[(E)-hex-4-en-2-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESC/C=C/CC(C)C1OC(=O)N(C)C1C(=O)OC
InChIInChI=1S/C12H19NO4/c1-5-6-7-8(2)10-9(11(14)16-4)13(3)12(15)17-10/h5-6,8-10H,7H2,1-4H3/b6-5+
InChIKeyGGVWOJLXQGFZQE-AATRIKPKSA-N
MW241.29 g/mol
LogP1.58
Rot. Bonds4

About methyl 5-[(E)-hex-4-en-2-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate

methyl 5-[(E)-hex-4-en-2-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate (PubChem CID 14039819) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is methyl 5-[(E)-hex-4-en-2-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(E)-hex-4-en-2-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate
PubChem CID14039819
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Namemethyl 5-[(E)-hex-4-en-2-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESC/C=C/CC(C)C1OC(=O)N(C)C1C(=O)OC
InChIInChI=1S/C12H19NO4/c1-5-6-7-8(2)10-9(11(14)16-4)13(3)12(15)17-10/h5-6,8-10H,7H2,1-4H3/b6-5+
InChIKeyGGVWOJLXQGFZQE-AATRIKPKSA-N
XLogP1.58
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 5-[(E)-hex-4-en-2-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate with MolForge

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Related Compounds

(4S,5R)-5-[(E,2R)-hex-4-en-2-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 13255010
(4S,5R)-5-[(E,2R)-hex-4-en-2-yl]-2,2,3-trimethyl-1,3-oxazolidine-4-carboxylic acid
CID 14134537
1-O-tert-butyl 2-O-methyl (2S,3R,4S)-3-hydroxy-4-prop-2-enylpyrrolidine-1,2-dicarboxylate
CID 137487133
7-O-tert-butyl 8-O-methyl (5aS,8S,8aR)-2,5,5a,6,8,8a-hexahydrooxepino[2,3-c]pyrrole-7,8-dicarboxylate
CID 137487190
methyl (4S,5R)-5-[(E,2R)-hex-4-en-2-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate
CID 10868431
Boc-N(Me)Bmt(E)-Oallyl
CID 23589230
Methyl 5-hex-4-en-2-yl-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate
CID 53837646
(4S,5R)-5-[(2R)-hex-4-en-2-yl]-2,2,3-trimethyl-1,3-oxazolidine-4-carboxylic acid
CID 57060755
2-O-tert-butyl 1-O-methyl 1,3,3a,4,7,7a-hexahydroisoindole-1,2-dicarboxylate
CID 68993805
1-O-tert-butyl 2-O-methyl 4-[(E)-but-2-enyl]pyrrolidine-1,2-dicarboxylate
CID 69470515
4-But-2-enyl-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester
CID 69470518
3-O-methyl 2-O-(2-methylpropyl) 2-azaspiro[4.4]non-7-ene-2,3-dicarboxylate
CID 90110596

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(E)-hex-4-en-2-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl 5-[(E)-hex-4-en-2-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate (CID 14039819) is methyl 5-[(E)-hex-4-en-2-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl 5-[(E)-hex-4-en-2-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl 5-[(E)-hex-4-en-2-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate is C/C=C/CC(C)C1OC(=O)N(C)C1C(=O)OC.
What is the InChIKey of methyl 5-[(E)-hex-4-en-2-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate?
The InChIKey is GGVWOJLXQGFZQE-AATRIKPKSA-N. The full InChI is InChI=1S/C12H19NO4/c1-5-6-7-8(2)10-9(11(14)16-4)13(3)12(15)17-10/h5-6,8-10H,7H2,1-4H3/b6-5+.
What are the key properties of methyl 5-[(E)-hex-4-en-2-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate?
methyl 5-[(E)-hex-4-en-2-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate has a molecular weight of 241.29 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(E)-hex-4-en-2-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 14039819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).