(4R,5R)-4-(hydroxymethyl)-5-prop-2-enyl-1,3-oxazolidin-2-one

C7H11NO3 — CID 102072752

IUPAC(4R,5R)-4-(hydroxymethyl)-5-prop-2-enyl-1,3-oxazolidin-2-one
SMILESC=CC[C@H]1OC(=O)N[C@@H]1CO
InChIInChI=1S/C7H11NO3/c1-2-3-6-5(4-9)8-7(10)11-6/h2,5-6,9H,1,3-4H2,(H,8,10)/t5-,6-/m1/s1
InChIKeyXJVCLTDQFGGNPV-PHDIDXHHSA-N
MW157.17 g/mol
LogP0.03
Rot. Bonds3

About (4R,5R)-4-(hydroxymethyl)-5-prop-2-enyl-1,3-oxazolidin-2-one

(4R,5R)-4-(hydroxymethyl)-5-prop-2-enyl-1,3-oxazolidin-2-one (PubChem CID 102072752) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is (4R,5R)-4-(hydroxymethyl)-5-prop-2-enyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-4-(hydroxymethyl)-5-prop-2-enyl-1,3-oxazolidin-2-one
PubChem CID102072752
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name(4R,5R)-4-(hydroxymethyl)-5-prop-2-enyl-1,3-oxazolidin-2-one
SMILESC=CC[C@H]1OC(=O)N[C@@H]1CO
InChIInChI=1S/C7H11NO3/c1-2-3-6-5(4-9)8-7(10)11-6/h2,5-6,9H,1,3-4H2,(H,8,10)/t5-,6-/m1/s1
InChIKeyXJVCLTDQFGGNPV-PHDIDXHHSA-N
XLogP0.03
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4R,5R)-5-methyl-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 11116158
(4S,5S)-5-ethyl-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 11480568
(4S,5S)-5-methyl-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 15632305
(4R,5S)-5-methyl-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 15632306
(4R,5S)-4-[(1R)-1-hydroxyethyl]-3-methyl-5-prop-2-enyl-1,3-oxazolidin-2-one
CID 49837210
(4R,5S)-5-ethenyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 55300645
(4R)-4-but-3-enyl-1,3-oxazolidin-2-one
CID 640426
4-But-3-enyl-1,3-oxazolidin-2-one
CID 21673738
5-Methyl-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 15632304
(4S,5R)-5-methyl-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 15632307
5-(Hydroxymethyl)-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 130019764
4-(3-Hydroxyprop-2-enyl)-1,3-oxazolidin-2-one
CID 131991472

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-(hydroxymethyl)-5-prop-2-enyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5R)-4-(hydroxymethyl)-5-prop-2-enyl-1,3-oxazolidin-2-one (CID 102072752) is (4R,5R)-4-(hydroxymethyl)-5-prop-2-enyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5R)-4-(hydroxymethyl)-5-prop-2-enyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5R)-4-(hydroxymethyl)-5-prop-2-enyl-1,3-oxazolidin-2-one is C=CC[C@H]1OC(=O)N[C@@H]1CO.
What is the InChIKey of (4R,5R)-4-(hydroxymethyl)-5-prop-2-enyl-1,3-oxazolidin-2-one?
The InChIKey is XJVCLTDQFGGNPV-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H11NO3/c1-2-3-6-5(4-9)8-7(10)11-6/h2,5-6,9H,1,3-4H2,(H,8,10)/t5-,6-/m1/s1.
What are the key properties of (4R,5R)-4-(hydroxymethyl)-5-prop-2-enyl-1,3-oxazolidin-2-one?
(4R,5R)-4-(hydroxymethyl)-5-prop-2-enyl-1,3-oxazolidin-2-one has a molecular weight of 157.17 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-(hydroxymethyl)-5-prop-2-enyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 102072752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).