3-[(1S,2S)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one

C13H13NO3 — CID 101132286

IUPAC3-[(1S,2S)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C(=O)[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C13H13NO3/c15-12(14-6-7-17-13(14)16)11-8-10(11)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2/t10-,11+/m1/s1
InChIKeyKANALQFKIASYKA-MNOVXSKESA-N
MW231.25 g/mol
LogP1.77
Rot. Bonds2

About 3-[(1S,2S)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one

3-[(1S,2S)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one (PubChem CID 101132286) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 3-[(1S,2S)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(1S,2S)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one
PubChem CID101132286
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name3-[(1S,2S)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C(=O)[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C13H13NO3/c15-12(14-6-7-17-13(14)16)11-8-10(11)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2/t10-,11+/m1/s1
InChIKeyKANALQFKIASYKA-MNOVXSKESA-N
XLogP1.77
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1R,2S,3R,4S)-3-phenylbicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one
CID 51346284
3-[(1R,2S)-2-methylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
CID 101221348
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
3-[(3R,4R,5S)-2-tert-butyl-5-methyl-3-phenyl-1,2-oxazolidine-4-carbonyl]-1,3-oxazolidin-2-one
CID 101040640
[(1S,2S)-2-phenylcyclopropyl]-piperazin-1-ylmethanone
CID 51893718
(4S)-4-benzyl-3-[(1R,2R)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(1S,2S)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one
CID 159175739
3-(3,4-diphenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-1,3-oxazolidin-2-one
CID 139985373
(4S)-4-benzyl-3-[(1R,2R)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one
CID 118160677
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
3-[(3R,4S)-4-(2,4-difluorophenyl)-1-phenylpyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one
CID 171770700
(2-phenylcyclopropyl)-(3-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 5331349
5-(2-phenylcyclopropanecarbonyl)furan-2-carboxylic acid
CID 106946658

Frequently Asked Questions

What is the IUPAC name of 3-[(1S,2S)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(1S,2S)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one (CID 101132286) is 3-[(1S,2S)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(1S,2S)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(1S,2S)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one is O=C1OCCN1C(=O)[C@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of 3-[(1S,2S)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one?
The InChIKey is KANALQFKIASYKA-MNOVXSKESA-N. The full InChI is InChI=1S/C13H13NO3/c15-12(14-6-7-17-13(14)16)11-8-10(11)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2/t10-,11+/m1/s1.
What are the key properties of 3-[(1S,2S)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one?
3-[(1S,2S)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one has a molecular weight of 231.25 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,2S)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 101132286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).