1-(2-methyl-4-methylidenecyclopentanecarbonyl)pyrrolidin-2-one

C12H17NO2 — CID 578866

IUPAC1-(2-methyl-4-methylidenecyclopentanecarbonyl)pyrrolidin-2-one
SMILESC=C1CC(C)C(C(=O)N2CCCC2=O)C1
InChIInChI=1S/C12H17NO2/c1-8-6-9(2)10(7-8)12(15)13-5-3-4-11(13)14/h9-10H,1,3-7H2,2H3
InChIKeyHWAAGSVKFSGICY-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.74
Rot. Bonds1

About 1-(2-methyl-4-methylidenecyclopentanecarbonyl)pyrrolidin-2-one

1-(2-methyl-4-methylidenecyclopentanecarbonyl)pyrrolidin-2-one (PubChem CID 578866) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-(2-methyl-4-methylidenecyclopentanecarbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-methyl-4-methylidenecyclopentanecarbonyl)pyrrolidin-2-one
PubChem CID578866
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-(2-methyl-4-methylidenecyclopentanecarbonyl)pyrrolidin-2-one
SMILESC=C1CC(C)C(C(=O)N2CCCC2=O)C1
InChIInChI=1S/C12H17NO2/c1-8-6-9(2)10(7-8)12(15)13-5-3-4-11(13)14/h9-10H,1,3-7H2,2H3
InChIKeyHWAAGSVKFSGICY-UHFFFAOYSA-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-(2-methyl-4-methylidenecyclopentanecarbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(2-methyl-4-methylidenecyclopentanecarbonyl)pyrrolidin-2-one (CID 578866) is 1-(2-methyl-4-methylidenecyclopentanecarbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-methyl-4-methylidenecyclopentanecarbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-methyl-4-methylidenecyclopentanecarbonyl)pyrrolidin-2-one is C=C1CC(C)C(C(=O)N2CCCC2=O)C1.
What is the InChIKey of 1-(2-methyl-4-methylidenecyclopentanecarbonyl)pyrrolidin-2-one?
The InChIKey is HWAAGSVKFSGICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8-6-9(2)10(7-8)12(15)13-5-3-4-11(13)14/h9-10H,1,3-7H2,2H3.
What are the key properties of 1-(2-methyl-4-methylidenecyclopentanecarbonyl)pyrrolidin-2-one?
1-(2-methyl-4-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-(2-methyl-4-methylidenecyclopentanecarbonyl)pyrrolidin-2-one is sourced from PubChem (CID 578866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).