(4R)-4-[(1S)-1-hydroxyprop-2-enyl]-3-prop-2-enyl-1,3-oxazolidin-2-one

C9H13NO3 — CID 11298337

IUPAC(4R)-4-[(1S)-1-hydroxyprop-2-enyl]-3-prop-2-enyl-1,3-oxazolidin-2-one
SMILESC=CCN1C(=O)OC[C@@H]1[C@@H](O)C=C
InChIInChI=1S/C9H13NO3/c1-3-5-10-7(8(11)4-2)6-13-9(10)12/h3-4,7-8,11H,1-2,5-6H2/t7-,8+/m1/s1
InChIKeyNZGBVSWAROKUBH-SFYZADRCSA-N
MW183.21 g/mol
LogP0.54
Rot. Bonds4

About (4R)-4-[(1S)-1-hydroxyprop-2-enyl]-3-prop-2-enyl-1,3-oxazolidin-2-one

(4R)-4-[(1S)-1-hydroxyprop-2-enyl]-3-prop-2-enyl-1,3-oxazolidin-2-one (PubChem CID 11298337) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is (4R)-4-[(1S)-1-hydroxyprop-2-enyl]-3-prop-2-enyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1S)-1-hydroxyprop-2-enyl]-3-prop-2-enyl-1,3-oxazolidin-2-one
PubChem CID11298337
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name(4R)-4-[(1S)-1-hydroxyprop-2-enyl]-3-prop-2-enyl-1,3-oxazolidin-2-one
SMILESC=CCN1C(=O)OC[C@@H]1[C@@H](O)C=C
InChIInChI=1S/C9H13NO3/c1-3-5-10-7(8(11)4-2)6-13-9(10)12/h3-4,7-8,11H,1-2,5-6H2/t7-,8+/m1/s1
InChIKeyNZGBVSWAROKUBH-SFYZADRCSA-N
XLogP0.54
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (4S)-4-[(1R)-1-hydroxyprop-2-en-1-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10777541
tert-butyl (4R)-4-[(1R)-1-hydroxyprop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10801138
tert-butyl (4R)-4-[(1S)-1-hydroxyprop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10491379
(4S)-4-ethenyl-3-[(2S)-1-hydroxybut-3-en-2-yl]-1,3-oxazolidin-2-one
CID 11240840
tert-butyl (4S)-4-[(1S)-1-hydroxyprop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11253895
(4S,5S)-4,5-bis(ethenyl)-3-[(2S)-1-hydroxybut-3-en-2-yl]-1,3-oxazolidin-2-one
CID 24749118
(8S,8aS)-8-hydroxy-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
CID 45083131
(4R,5S)-4-[(1R)-1-hydroxyethyl]-3-methyl-5-prop-2-enyl-1,3-oxazolidin-2-one
CID 49837210
(4S,5S)-4,5-bis(ethenyl)-3-[(2R)-1-hydroxybut-3-en-2-yl]-1,3-oxazolidin-2-one
CID 121006507
tert-butyl (4S)-4-[(1R)-1-hydroxypenta-2,3-dienyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 134884658
tert-butyl (4S)-4-(1-hydroxybuta-2,3-dienyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 134931744
(4S,5S)-3-but-3-enyl-4-ethenyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 11310110

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1S)-1-hydroxyprop-2-enyl]-3-prop-2-enyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-[(1S)-1-hydroxyprop-2-enyl]-3-prop-2-enyl-1,3-oxazolidin-2-one (CID 11298337) is (4R)-4-[(1S)-1-hydroxyprop-2-enyl]-3-prop-2-enyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-[(1S)-1-hydroxyprop-2-enyl]-3-prop-2-enyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-[(1S)-1-hydroxyprop-2-enyl]-3-prop-2-enyl-1,3-oxazolidin-2-one is C=CCN1C(=O)OC[C@@H]1[C@@H](O)C=C.
What is the InChIKey of (4R)-4-[(1S)-1-hydroxyprop-2-enyl]-3-prop-2-enyl-1,3-oxazolidin-2-one?
The InChIKey is NZGBVSWAROKUBH-SFYZADRCSA-N. The full InChI is InChI=1S/C9H13NO3/c1-3-5-10-7(8(11)4-2)6-13-9(10)12/h3-4,7-8,11H,1-2,5-6H2/t7-,8+/m1/s1.
What are the key properties of (4R)-4-[(1S)-1-hydroxyprop-2-enyl]-3-prop-2-enyl-1,3-oxazolidin-2-one?
(4R)-4-[(1S)-1-hydroxyprop-2-enyl]-3-prop-2-enyl-1,3-oxazolidin-2-one has a molecular weight of 183.21 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1S)-1-hydroxyprop-2-enyl]-3-prop-2-enyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11298337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).