ethyl N-(2-oxo-4-prop-1-en-2-yl-1,3-oxazolidin-3-yl)carbamate

C9H14N2O4 — CID 132990410

IUPACethyl N-(2-oxo-4-prop-1-en-2-yl-1,3-oxazolidin-3-yl)carbamate
SMILESC=C(C)C1COC(=O)N1NC(=O)OCC
InChIInChI=1S/C9H14N2O4/c1-4-14-8(12)10-11-7(6(2)3)5-15-9(11)13/h7H,2,4-5H2,1,3H3,(H,10,12)
InChIKeyFRFHAOGFSFQFGN-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.04
Rot. Bonds3

About ethyl N-(2-oxo-4-prop-1-en-2-yl-1,3-oxazolidin-3-yl)carbamate

ethyl N-(2-oxo-4-prop-1-en-2-yl-1,3-oxazolidin-3-yl)carbamate (PubChem CID 132990410) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is ethyl N-(2-oxo-4-prop-1-en-2-yl-1,3-oxazolidin-3-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(2-oxo-4-prop-1-en-2-yl-1,3-oxazolidin-3-yl)carbamate
PubChem CID132990410
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Nameethyl N-(2-oxo-4-prop-1-en-2-yl-1,3-oxazolidin-3-yl)carbamate
SMILESC=C(C)C1COC(=O)N1NC(=O)OCC
InChIInChI=1S/C9H14N2O4/c1-4-14-8(12)10-11-7(6(2)3)5-15-9(11)13/h7H,2,4-5H2,1,3H3,(H,10,12)
InChIKeyFRFHAOGFSFQFGN-UHFFFAOYSA-N
XLogP1.04
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[(4R)-4-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl]carbamate
CID 118615856
benzyl N-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]carbamate
CID 11346476
methyl 2-[(6S,7R,7aS)-3-oxo-6-prop-1-en-2-yl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-7-yl]acetate
CID 101242071
(4S)-4-prop-1-en-2-yl-3-(5,5,5-trifluoropentanoyl)-1,3-oxazolidin-2-one
CID 163522003
ethyl N-(2-oxopiperidin-1-yl)carbamate
CID 130667118
ethyl N-(2,4-dioxo-1,3-thiazolidin-3-yl)carbamate
CID 141348267
ethyl N-(4-oxocyclohexyl)carbamate
CID 12546192
ethyl N-[(3R,4S)-4-hydroxyoxolan-3-yl]carbamate
CID 130751480
ethyl (3R,5R)-3,5-dimethylmorpholine-4-carboxylate
CID 13414046
ethyl methyl carbonate;4-methyl-1,3-dioxolan-2-one
CID 135304393
ethyl N-(2-aminoethylamino)carbamate
CID 134311496
ethyl 5-oxo-1,3-oxazolidine-3-carboxylate
CID 45090329

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-oxo-4-prop-1-en-2-yl-1,3-oxazolidin-3-yl)carbamate?
The IUPAC name of ethyl N-(2-oxo-4-prop-1-en-2-yl-1,3-oxazolidin-3-yl)carbamate (CID 132990410) is ethyl N-(2-oxo-4-prop-1-en-2-yl-1,3-oxazolidin-3-yl)carbamate.
What is the SMILES notation for ethyl N-(2-oxo-4-prop-1-en-2-yl-1,3-oxazolidin-3-yl)carbamate?
The canonical SMILES for ethyl N-(2-oxo-4-prop-1-en-2-yl-1,3-oxazolidin-3-yl)carbamate is C=C(C)C1COC(=O)N1NC(=O)OCC.
What is the InChIKey of ethyl N-(2-oxo-4-prop-1-en-2-yl-1,3-oxazolidin-3-yl)carbamate?
The InChIKey is FRFHAOGFSFQFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-4-14-8(12)10-11-7(6(2)3)5-15-9(11)13/h7H,2,4-5H2,1,3H3,(H,10,12).
What are the key properties of ethyl N-(2-oxo-4-prop-1-en-2-yl-1,3-oxazolidin-3-yl)carbamate?
ethyl N-(2-oxo-4-prop-1-en-2-yl-1,3-oxazolidin-3-yl)carbamate has a molecular weight of 214.22 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-oxo-4-prop-1-en-2-yl-1,3-oxazolidin-3-yl)carbamate is sourced from PubChem (CID 132990410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).