prop-2-enyl N-[(3S)-5-oxo-2-propan-2-yloxolan-3-yl]carbamate

C11H17NO4 — CID 89169242

IUPACprop-2-enyl N-[(3S)-5-oxo-2-propan-2-yloxolan-3-yl]carbamate
SMILESC=CCOC(=O)N[C@H]1CC(=O)OC1C(C)C
InChIInChI=1S/C11H17NO4/c1-4-5-15-11(14)12-8-6-9(13)16-10(8)7(2)3/h4,7-8,10H,1,5-6H2,2-3H3,(H,12,14)/t8-,10?/m0/s1
InChIKeyPXOSJZLGFLLLGW-PEHGTWAWSA-N
MW227.26 g/mol
LogP1.24
Rot. Bonds4

About prop-2-enyl N-[(3S)-5-oxo-2-propan-2-yloxolan-3-yl]carbamate

prop-2-enyl N-[(3S)-5-oxo-2-propan-2-yloxolan-3-yl]carbamate (PubChem CID 89169242) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is prop-2-enyl N-[(3S)-5-oxo-2-propan-2-yloxolan-3-yl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[(3S)-5-oxo-2-propan-2-yloxolan-3-yl]carbamate
PubChem CID89169242
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Nameprop-2-enyl N-[(3S)-5-oxo-2-propan-2-yloxolan-3-yl]carbamate
SMILESC=CCOC(=O)N[C@H]1CC(=O)OC1C(C)C
InChIInChI=1S/C11H17NO4/c1-4-5-15-11(14)12-8-6-9(13)16-10(8)7(2)3/h4,7-8,10H,1,5-6H2,2-3H3,(H,12,14)/t8-,10?/m0/s1
InChIKeyPXOSJZLGFLLLGW-PEHGTWAWSA-N
XLogP1.24
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.24
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

prop-2-enyl N-(5-oxo-4,4-dipropyloxolan-3-yl)carbamate
CID 9881876
prop-2-enyl N-[(3S)-5-oxo-4,4-dipropyloxolan-3-yl]carbamate
CID 9838291
tert-butyl N-[(2S,3R,4R)-2-ethenyl-5-oxo-4-prop-2-enyloxolan-3-yl]carbamate
CID 162414298
l-Leucine, N-allyloxycarbonyl-, hexyl ester
CID 91725573
DL-Norleucine, N-allyloxycarbonyl-, isohexyl ester
CID 91725594
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
prop-2-enyl N-[(2R,3S)-2-(2-methylpropyl)-5-oxooxolan-3-yl]carbamate
CID 60016963
prop-2-enyl N-(2-cyclopentyl-2-methoxy-5-oxooxolan-3-yl)carbamate
CID 69318204
prop-2-enyl N-[(2R,3R)-2-(2-methylpropyl)-5-oxooxolan-3-yl]carbamate
CID 145786196
tert-butyl N-[(3S,4S,5S)-4-methyl-2-oxo-5-prop-1-en-2-yloxolan-3-yl]carbamate
CID 11391187
tert-butyl N-[(2R,3R)-5-oxo-2-prop-2-enyloxolan-3-yl]carbamate
CID 11746776

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[(3S)-5-oxo-2-propan-2-yloxolan-3-yl]carbamate?
The IUPAC name of prop-2-enyl N-[(3S)-5-oxo-2-propan-2-yloxolan-3-yl]carbamate (CID 89169242) is prop-2-enyl N-[(3S)-5-oxo-2-propan-2-yloxolan-3-yl]carbamate.
What is the SMILES notation for prop-2-enyl N-[(3S)-5-oxo-2-propan-2-yloxolan-3-yl]carbamate?
The canonical SMILES for prop-2-enyl N-[(3S)-5-oxo-2-propan-2-yloxolan-3-yl]carbamate is C=CCOC(=O)N[C@H]1CC(=O)OC1C(C)C.
What is the InChIKey of prop-2-enyl N-[(3S)-5-oxo-2-propan-2-yloxolan-3-yl]carbamate?
The InChIKey is PXOSJZLGFLLLGW-PEHGTWAWSA-N. The full InChI is InChI=1S/C11H17NO4/c1-4-5-15-11(14)12-8-6-9(13)16-10(8)7(2)3/h4,7-8,10H,1,5-6H2,2-3H3,(H,12,14)/t8-,10?/m0/s1.
What are the key properties of prop-2-enyl N-[(3S)-5-oxo-2-propan-2-yloxolan-3-yl]carbamate?
prop-2-enyl N-[(3S)-5-oxo-2-propan-2-yloxolan-3-yl]carbamate has a molecular weight of 227.26 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[(3S)-5-oxo-2-propan-2-yloxolan-3-yl]carbamate is sourced from PubChem (CID 89169242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).