3-[2-[(1S,2R)-5,5-dimethyl-2-prop-1-en-2-ylcyclohexyl]acetyl]-1,3-oxazolidin-2-one

C16H25NO3 — CID 14174490

IUPAC3-[2-[(1S,2R)-5,5-dimethyl-2-prop-1-en-2-ylcyclohexyl]acetyl]-1,3-oxazolidin-2-one
SMILESC=C(C)[C@@H]1CCC(C)(C)C[C@H]1CC(=O)N1CCOC1=O
InChIInChI=1S/C16H25NO3/c1-11(2)13-5-6-16(3,4)10-12(13)9-14(18)17-7-8-20-15(17)19/h12-13H,1,5-10H2,2-4H3/t12-,13+/m1/s1
InChIKeyKFZKNCMMQSSXRR-OLZOCXBDSA-N
MW279.38 g/mol
LogP3.37
Rot. Bonds3

About 3-[2-[(1S,2R)-5,5-dimethyl-2-prop-1-en-2-ylcyclohexyl]acetyl]-1,3-oxazolidin-2-one

3-[2-[(1S,2R)-5,5-dimethyl-2-prop-1-en-2-ylcyclohexyl]acetyl]-1,3-oxazolidin-2-one (PubChem CID 14174490) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-[2-[(1S,2R)-5,5-dimethyl-2-prop-1-en-2-ylcyclohexyl]acetyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[(1S,2R)-5,5-dimethyl-2-prop-1-en-2-ylcyclohexyl]acetyl]-1,3-oxazolidin-2-one
PubChem CID14174490
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name3-[2-[(1S,2R)-5,5-dimethyl-2-prop-1-en-2-ylcyclohexyl]acetyl]-1,3-oxazolidin-2-one
SMILESC=C(C)[C@@H]1CCC(C)(C)C[C@H]1CC(=O)N1CCOC1=O
InChIInChI=1S/C16H25NO3/c1-11(2)13-5-6-16(3,4)10-12(13)9-14(18)17-7-8-20-15(17)19/h12-13H,1,5-10H2,2-4H3/t12-,13+/m1/s1
InChIKeyKFZKNCMMQSSXRR-OLZOCXBDSA-N
XLogP3.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.37
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 3-[2-[(1S,2R)-5,5-dimethyl-2-prop-1-en-2-ylcyclohexyl]acetyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[(1S,2R)-5,5-dimethyl-2-prop-1-en-2-ylcyclohexyl]acetyl]-1,3-oxazolidin-2-one (CID 14174490) is 3-[2-[(1S,2R)-5,5-dimethyl-2-prop-1-en-2-ylcyclohexyl]acetyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[(1S,2R)-5,5-dimethyl-2-prop-1-en-2-ylcyclohexyl]acetyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[(1S,2R)-5,5-dimethyl-2-prop-1-en-2-ylcyclohexyl]acetyl]-1,3-oxazolidin-2-one is C=C(C)[C@@H]1CCC(C)(C)C[C@H]1CC(=O)N1CCOC1=O.
What is the InChIKey of 3-[2-[(1S,2R)-5,5-dimethyl-2-prop-1-en-2-ylcyclohexyl]acetyl]-1,3-oxazolidin-2-one?
The InChIKey is KFZKNCMMQSSXRR-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H25NO3/c1-11(2)13-5-6-16(3,4)10-12(13)9-14(18)17-7-8-20-15(17)19/h12-13H,1,5-10H2,2-4H3/t12-,13+/m1/s1.
What are the key properties of 3-[2-[(1S,2R)-5,5-dimethyl-2-prop-1-en-2-ylcyclohexyl]acetyl]-1,3-oxazolidin-2-one?
3-[2-[(1S,2R)-5,5-dimethyl-2-prop-1-en-2-ylcyclohexyl]acetyl]-1,3-oxazolidin-2-one has a molecular weight of 279.38 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(1S,2R)-5,5-dimethyl-2-prop-1-en-2-ylcyclohexyl]acetyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 14174490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).