(4S)-4-cyclopropyl-4-methyl-1,3-oxazolidin-2-one

C7H11NO2 — CID 124509752

IUPAC(4S)-4-cyclopropyl-4-methyl-1,3-oxazolidin-2-one
SMILESC[C@]1(C2CC2)COC(=O)N1
InChIInChI=1S/C7H11NO2/c1-7(5-2-3-5)4-10-6(9)8-7/h5H,2-4H2,1H3,(H,8,9)/t7-/m1/s1
InChIKeyHTBWKTCFNDULRD-SSDOTTSWSA-N
MW141.17 g/mol
LogP0.89
Rot. Bonds1

About (4S)-4-cyclopropyl-4-methyl-1,3-oxazolidin-2-one

(4S)-4-cyclopropyl-4-methyl-1,3-oxazolidin-2-one (PubChem CID 124509752) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (4S)-4-cyclopropyl-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-cyclopropyl-4-methyl-1,3-oxazolidin-2-one
PubChem CID124509752
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(4S)-4-cyclopropyl-4-methyl-1,3-oxazolidin-2-one
SMILESC[C@]1(C2CC2)COC(=O)N1
InChIInChI=1S/C7H11NO2/c1-7(5-2-3-5)4-10-6(9)8-7/h5H,2-4H2,1H3,(H,8,9)/t7-/m1/s1
InChIKeyHTBWKTCFNDULRD-SSDOTTSWSA-N
XLogP0.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1,1-dioxothian-4-yl)-4-methyl-1,3-oxazolidin-2-one
CID 105492913
(1'S,4S,4'R)-2',2'-dimethylspiro[1,3-oxazolidine-4,3'-bicyclo[2.2.1]heptane]-2-one
CID 1268134
4-methyl-4-(sulfanylmethyl)-1,3-oxazolidin-2-one
CID 86665538
4-[6-(4-tert-butylcyclohexyl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]-4-methyl-1,3-oxazolidin-2-one
CID 67411819
4-cyclopropyl-4-methylimidazolidin-2-one
CID 105428121
6,6,8,8-tetramethyl-3,7-dioxa-1-azaspiro[4.4]nonan-2-one
CID 79934597
(1S,6R,8R)-11,11-dimethyl-3-oxa-5-azatricyclo[6.2.1.01,6]undecan-4-one
CID 11819992
5-cyclopropyl-5-methyl-1,3-oxazolidine-2,4-dione
CID 102571206
4-ethyl-4-hydroxy-1,3-oxazolidin-2-one
CID 19933761
5,5-dimethyl-4-[(Z)-prop-1-enyl]-1,3-oxazinan-2-one
CID 144545689
(4R)-4-methyl-4-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one
CID 129409253
(4S)-4-(2-chlorophenyl)-4-methyl-1,3-oxazolidin-2-one
CID 95866457

Frequently Asked Questions

What is the IUPAC name of (4S)-4-cyclopropyl-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-cyclopropyl-4-methyl-1,3-oxazolidin-2-one (CID 124509752) is (4S)-4-cyclopropyl-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-cyclopropyl-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-cyclopropyl-4-methyl-1,3-oxazolidin-2-one is C[C@]1(C2CC2)COC(=O)N1.
What is the InChIKey of (4S)-4-cyclopropyl-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is HTBWKTCFNDULRD-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H11NO2/c1-7(5-2-3-5)4-10-6(9)8-7/h5H,2-4H2,1H3,(H,8,9)/t7-/m1/s1.
What are the key properties of (4S)-4-cyclopropyl-4-methyl-1,3-oxazolidin-2-one?
(4S)-4-cyclopropyl-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 141.17 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-cyclopropyl-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 124509752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).