methyl N-[(3R,5R)-5-ethenyl-2-oxooxolan-3-yl]carbamate

C8H11NO4 — CID 15569858

IUPACmethyl N-[(3R,5R)-5-ethenyl-2-oxooxolan-3-yl]carbamate
SMILESC=C[C@H]1C[C@@H](NC(=O)OC)C(=O)O1
InChIInChI=1S/C8H11NO4/c1-3-5-4-6(7(10)13-5)9-8(11)12-2/h3,5-6H,1,4H2,2H3,(H,9,11)/t5-,6+/m0/s1
InChIKeyOYQARDQAEUYHPZ-NTSWFWBYSA-N
MW185.18 g/mol
LogP0.21
Rot. Bonds2

About methyl N-[(3R,5R)-5-ethenyl-2-oxooxolan-3-yl]carbamate

methyl N-[(3R,5R)-5-ethenyl-2-oxooxolan-3-yl]carbamate (PubChem CID 15569858) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is methyl N-[(3R,5R)-5-ethenyl-2-oxooxolan-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(3R,5R)-5-ethenyl-2-oxooxolan-3-yl]carbamate
PubChem CID15569858
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Namemethyl N-[(3R,5R)-5-ethenyl-2-oxooxolan-3-yl]carbamate
SMILESC=C[C@H]1C[C@@H](NC(=O)OC)C(=O)O1
InChIInChI=1S/C8H11NO4/c1-3-5-4-6(7(10)13-5)9-8(11)12-2/h3,5-6H,1,4H2,2H3,(H,9,11)/t5-,6+/m0/s1
InChIKeyOYQARDQAEUYHPZ-NTSWFWBYSA-N
XLogP0.21
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 50.21
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

l-Norvaline, N-allyloxycarbonyl-, ethyl ester
CID 91722481
methyl N-(5-ethenyl-2-oxooxolan-3-yl)carbamate
CID 336195
l-Norvaline, N-allyloxycarbonyl-, allyl ester
CID 91722394
tert-butyl 2-[(4R,5R)-5-ethenyl-2-oxo-1,3-oxazolidin-4-yl]acetate
CID 134966293
tert-butyl N-[(2S,3R,4R)-2-ethenyl-5-oxo-4-prop-2-enyloxolan-3-yl]carbamate
CID 162414298
butyl N-(5-ethenyl-2-oxooxolan-3-yl)carbamate
CID 336196
prop-2-enyl N-(2-methyl-5-oxooxolan-3-yl)carbamate
CID 22956495
prop-2-enyl N-[(3S)-2-methyl-5-oxooxolan-3-yl]carbamate
CID 59457014
Ethyl 5-ethenyl-2-oxo-1,3-oxazolidine-4-carboxylate
CID 139842673
Ethyl 2-oxo-5-prop-2-enyl-1,3-oxazolidine-4-carboxylate
CID 139842712
methyl N-(2-oxo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-3-yl)carbamate
CID 15569862
methyl N-[(3S,5R)-5-ethenyl-2-oxooxolan-3-yl]carbamate
CID 92266080

Frequently Asked Questions

What is the IUPAC name of methyl N-[(3R,5R)-5-ethenyl-2-oxooxolan-3-yl]carbamate?
The IUPAC name of methyl N-[(3R,5R)-5-ethenyl-2-oxooxolan-3-yl]carbamate (CID 15569858) is methyl N-[(3R,5R)-5-ethenyl-2-oxooxolan-3-yl]carbamate.
What is the SMILES notation for methyl N-[(3R,5R)-5-ethenyl-2-oxooxolan-3-yl]carbamate?
The canonical SMILES for methyl N-[(3R,5R)-5-ethenyl-2-oxooxolan-3-yl]carbamate is C=C[C@H]1C[C@@H](NC(=O)OC)C(=O)O1.
What is the InChIKey of methyl N-[(3R,5R)-5-ethenyl-2-oxooxolan-3-yl]carbamate?
The InChIKey is OYQARDQAEUYHPZ-NTSWFWBYSA-N. The full InChI is InChI=1S/C8H11NO4/c1-3-5-4-6(7(10)13-5)9-8(11)12-2/h3,5-6H,1,4H2,2H3,(H,9,11)/t5-,6+/m0/s1.
What are the key properties of methyl N-[(3R,5R)-5-ethenyl-2-oxooxolan-3-yl]carbamate?
methyl N-[(3R,5R)-5-ethenyl-2-oxooxolan-3-yl]carbamate has a molecular weight of 185.18 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(3R,5R)-5-ethenyl-2-oxooxolan-3-yl]carbamate is sourced from PubChem (CID 15569858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).