1-[(1R,2S)-2-methyl-3-methylidenecyclopentanecarbonyl]pyrrolidin-2-one

C12H17NO2 — CID 91698978

IUPAC1-[(1R,2S)-2-methyl-3-methylidenecyclopentanecarbonyl]pyrrolidin-2-one
SMILESC=C1CC[C@@H](C(=O)N2CCCC2=O)[C@@H]1C
InChIInChI=1S/C12H17NO2/c1-8-5-6-10(9(8)2)12(15)13-7-3-4-11(13)14/h9-10H,1,3-7H2,2H3/t9-,10-/m1/s1
InChIKeyLVMYQFYAXRYSDU-NXEZZACHSA-N
MW207.27 g/mol
LogP1.74
Rot. Bonds1

About 1-[(1R,2S)-2-methyl-3-methylidenecyclopentanecarbonyl]pyrrolidin-2-one

1-[(1R,2S)-2-methyl-3-methylidenecyclopentanecarbonyl]pyrrolidin-2-one (PubChem CID 91698978) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-[(1R,2S)-2-methyl-3-methylidenecyclopentanecarbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(1R,2S)-2-methyl-3-methylidenecyclopentanecarbonyl]pyrrolidin-2-one
PubChem CID91698978
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-[(1R,2S)-2-methyl-3-methylidenecyclopentanecarbonyl]pyrrolidin-2-one
SMILESC=C1CC[C@@H](C(=O)N2CCCC2=O)[C@@H]1C
InChIInChI=1S/C12H17NO2/c1-8-5-6-10(9(8)2)12(15)13-7-3-4-11(13)14/h9-10H,1,3-7H2,2H3/t9-,10-/m1/s1
InChIKeyLVMYQFYAXRYSDU-NXEZZACHSA-N
XLogP1.74
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-methyl-3-methylidenecyclopentanecarbonyl]pyrrolidin-2-one?
The IUPAC name of 1-[(1R,2S)-2-methyl-3-methylidenecyclopentanecarbonyl]pyrrolidin-2-one (CID 91698978) is 1-[(1R,2S)-2-methyl-3-methylidenecyclopentanecarbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(1R,2S)-2-methyl-3-methylidenecyclopentanecarbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(1R,2S)-2-methyl-3-methylidenecyclopentanecarbonyl]pyrrolidin-2-one is C=C1CC[C@@H](C(=O)N2CCCC2=O)[C@@H]1C.
What is the InChIKey of 1-[(1R,2S)-2-methyl-3-methylidenecyclopentanecarbonyl]pyrrolidin-2-one?
The InChIKey is LVMYQFYAXRYSDU-NXEZZACHSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8-5-6-10(9(8)2)12(15)13-7-3-4-11(13)14/h9-10H,1,3-7H2,2H3/t9-,10-/m1/s1.
What are the key properties of 1-[(1R,2S)-2-methyl-3-methylidenecyclopentanecarbonyl]pyrrolidin-2-one?
1-[(1R,2S)-2-methyl-3-methylidenecyclopentanecarbonyl]pyrrolidin-2-one has a molecular weight of 207.27 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2-methyl-3-methylidenecyclopentanecarbonyl]pyrrolidin-2-one is sourced from PubChem (CID 91698978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).