(4S)-3-[(1R,2S,6S)-2,6-dimethylcyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C15H23NO3 — CID 134889365

IUPAC(4S)-3-[(1R,2S,6S)-2,6-dimethylcyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1C(=O)[C@H]1[C@@H](C)C=CC[C@@H]1C
InChIInChI=1S/C15H23NO3/c1-9(2)12-8-19-15(18)16(12)14(17)13-10(3)6-5-7-11(13)4/h5-6,9-13H,7-8H2,1-4H3/t10-,11-,12+,13-/m0/s1
InChIKeyHAHARUYZQHCWNC-RVMXOQNASA-N
MW265.35 g/mol
LogP2.84
Rot. Bonds2

About (4S)-3-[(1R,2S,6S)-2,6-dimethylcyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[(1R,2S,6S)-2,6-dimethylcyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 134889365) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is (4S)-3-[(1R,2S,6S)-2,6-dimethylcyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(1R,2S,6S)-2,6-dimethylcyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID134889365
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name(4S)-3-[(1R,2S,6S)-2,6-dimethylcyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1C(=O)[C@H]1[C@@H](C)C=CC[C@@H]1C
InChIInChI=1S/C15H23NO3/c1-9(2)12-8-19-15(18)16(12)14(17)13-10(3)6-5-7-11(13)4/h5-6,9-13H,7-8H2,1-4H3/t10-,11-,12+,13-/m0/s1
InChIKeyHAHARUYZQHCWNC-RVMXOQNASA-N
XLogP2.84
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 ≤ 52.84
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,6S)-2,6-dimethylcyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(1R,2S,6S)-2,6-dimethylcyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 134889365) is (4S)-3-[(1R,2S,6S)-2,6-dimethylcyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(1R,2S,6S)-2,6-dimethylcyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(1R,2S,6S)-2,6-dimethylcyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1C(=O)[C@H]1[C@@H](C)C=CC[C@@H]1C.
What is the InChIKey of (4S)-3-[(1R,2S,6S)-2,6-dimethylcyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is HAHARUYZQHCWNC-RVMXOQNASA-N. The full InChI is InChI=1S/C15H23NO3/c1-9(2)12-8-19-15(18)16(12)14(17)13-10(3)6-5-7-11(13)4/h5-6,9-13H,7-8H2,1-4H3/t10-,11-,12+,13-/m0/s1.
What are the key properties of (4S)-3-[(1R,2S,6S)-2,6-dimethylcyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(1R,2S,6S)-2,6-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 2.84, 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,6S)-2,6-dimethylcyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 134889365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).