(5R)-1-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-5-methyl-5-prop-2-enylpyrrolidin-2-one

C14H25NO2 — CID 15722755

IUPAC(5R)-1-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-5-methyl-5-prop-2-enylpyrrolidin-2-one
SMILESC=CC[C@@]1(C)CCC(=O)N1[C@@H](CO)C(C)(C)C
InChIInChI=1S/C14H25NO2/c1-6-8-14(5)9-7-12(17)15(14)11(10-16)13(2,3)4/h6,11,16H,1,7-10H2,2-5H3/t11-,14-/m0/s1
InChIKeyRSEYBMSVCICAFQ-FZMZJTMJSA-N
MW239.36 g/mol
LogP2.35
Rot. Bonds4

About (5R)-1-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-5-methyl-5-prop-2-enylpyrrolidin-2-one

(5R)-1-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-5-methyl-5-prop-2-enylpyrrolidin-2-one (PubChem CID 15722755) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is (5R)-1-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-5-methyl-5-prop-2-enylpyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-1-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-5-methyl-5-prop-2-enylpyrrolidin-2-one
PubChem CID15722755
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name(5R)-1-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-5-methyl-5-prop-2-enylpyrrolidin-2-one
SMILESC=CC[C@@]1(C)CCC(=O)N1[C@@H](CO)C(C)(C)C
InChIInChI=1S/C14H25NO2/c1-6-8-14(5)9-7-12(17)15(14)11(10-16)13(2,3)4/h6,11,16H,1,7-10H2,2-5H3/t11-,14-/m0/s1
InChIKeyRSEYBMSVCICAFQ-FZMZJTMJSA-N
XLogP2.35
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (5R)-1-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-5-methyl-5-prop-2-enylpyrrolidin-2-one?
The IUPAC name of (5R)-1-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-5-methyl-5-prop-2-enylpyrrolidin-2-one (CID 15722755) is (5R)-1-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-5-methyl-5-prop-2-enylpyrrolidin-2-one.
What is the SMILES notation for (5R)-1-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-5-methyl-5-prop-2-enylpyrrolidin-2-one?
The canonical SMILES for (5R)-1-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-5-methyl-5-prop-2-enylpyrrolidin-2-one is C=CC[C@@]1(C)CCC(=O)N1[C@@H](CO)C(C)(C)C.
What is the InChIKey of (5R)-1-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-5-methyl-5-prop-2-enylpyrrolidin-2-one?
The InChIKey is RSEYBMSVCICAFQ-FZMZJTMJSA-N. The full InChI is InChI=1S/C14H25NO2/c1-6-8-14(5)9-7-12(17)15(14)11(10-16)13(2,3)4/h6,11,16H,1,7-10H2,2-5H3/t11-,14-/m0/s1.
What are the key properties of (5R)-1-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-5-methyl-5-prop-2-enylpyrrolidin-2-one?
(5R)-1-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-5-methyl-5-prop-2-enylpyrrolidin-2-one has a molecular weight of 239.36 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-5-methyl-5-prop-2-enylpyrrolidin-2-one is sourced from PubChem (CID 15722755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).