(4S)-3-[(1R,2S)-2,4-dimethylcyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C15H23NO3 — CID 134889339

IUPAC(4S)-3-[(1R,2S)-2,4-dimethylcyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC1=C[C@H](C)[C@H](C(=O)N2C(=O)OC[C@@H]2C(C)C)CC1
InChIInChI=1S/C15H23NO3/c1-9(2)13-8-19-15(18)16(13)14(17)12-6-5-10(3)7-11(12)4/h7,9,11-13H,5-6,8H2,1-4H3/t11-,12+,13+/m0/s1
InChIKeyRWCMWEWQWRQQRN-YNEHKIRRSA-N
MW265.35 g/mol
LogP2.98
Rot. Bonds2

About (4S)-3-[(1R,2S)-2,4-dimethylcyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[(1R,2S)-2,4-dimethylcyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 134889339) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is (4S)-3-[(1R,2S)-2,4-dimethylcyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(1R,2S)-2,4-dimethylcyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID134889339
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name(4S)-3-[(1R,2S)-2,4-dimethylcyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC1=C[C@H](C)[C@H](C(=O)N2C(=O)OC[C@@H]2C(C)C)CC1
InChIInChI=1S/C15H23NO3/c1-9(2)13-8-19-15(18)16(13)14(17)12-6-5-10(3)7-11(12)4/h7,9,11-13H,5-6,8H2,1-4H3/t11-,12+,13+/m0/s1
InChIKeyRWCMWEWQWRQQRN-YNEHKIRRSA-N
XLogP2.98
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(1R,2S)-2,4-dimethylcyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(1R,2S)-2,4-dimethylcyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 134889339) is (4S)-3-[(1R,2S)-2,4-dimethylcyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(1R,2S)-2,4-dimethylcyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(1R,2S)-2,4-dimethylcyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC1=C[C@H](C)[C@H](C(=O)N2C(=O)OC[C@@H]2C(C)C)CC1.
What is the InChIKey of (4S)-3-[(1R,2S)-2,4-dimethylcyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is RWCMWEWQWRQQRN-YNEHKIRRSA-N. The full InChI is InChI=1S/C15H23NO3/c1-9(2)13-8-19-15(18)16(13)14(17)12-6-5-10(3)7-11(12)4/h7,9,11-13H,5-6,8H2,1-4H3/t11-,12+,13+/m0/s1.
What are the key properties of (4S)-3-[(1R,2S)-2,4-dimethylcyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(1R,2S)-2,4-dimethylcyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 265.35 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(1R,2S)-2,4-dimethylcyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 134889339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).