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

C14H21NO3 — CID 13296315

IUPAC(4S)-3-[(1R)-4-methylcyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC1=CC[C@H](C(=O)N2C(=O)OC[C@@H]2C(C)C)CC1
InChIInChI=1S/C14H21NO3/c1-9(2)12-8-18-14(17)15(12)13(16)11-6-4-10(3)5-7-11/h4,9,11-12H,5-8H2,1-3H3/t11-,12+/m0/s1
InChIKeyCIGKFOPZICCWQW-NWDGAFQWSA-N
MW251.33 g/mol
LogP2.74
Rot. Bonds2

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

(4S)-3-[(1R)-4-methylcyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 13296315) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is (4S)-3-[(1R)-4-methylcyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(1R)-4-methylcyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID13296315
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name(4S)-3-[(1R)-4-methylcyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC1=CC[C@H](C(=O)N2C(=O)OC[C@@H]2C(C)C)CC1
InChIInChI=1S/C14H21NO3/c1-9(2)12-8-18-14(17)15(12)13(16)11-6-4-10(3)5-7-11/h4,9,11-12H,5-8H2,1-3H3/t11-,12+/m0/s1
InChIKeyCIGKFOPZICCWQW-NWDGAFQWSA-N
XLogP2.74
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4S)-3-[(1R)-4-methylcyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(1R)-4-methylcyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(1R)-4-methylcyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 13296315) is (4S)-3-[(1R)-4-methylcyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(1R)-4-methylcyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(1R)-4-methylcyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC1=CC[C@H](C(=O)N2C(=O)OC[C@@H]2C(C)C)CC1.
What is the InChIKey of (4S)-3-[(1R)-4-methylcyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is CIGKFOPZICCWQW-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H21NO3/c1-9(2)12-8-18-14(17)15(12)13(16)11-6-4-10(3)5-7-11/h4,9,11-12H,5-8H2,1-3H3/t11-,12+/m0/s1.
What are the key properties of (4S)-3-[(1R)-4-methylcyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(1R)-4-methylcyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 251.33 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(1R)-4-methylcyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 13296315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).