5-ethyl-1-(4-methylidenecyclohexanecarbonyl)pyrrolidin-3-one

C14H21NO2 — CID 91082136

IUPAC5-ethyl-1-(4-methylidenecyclohexanecarbonyl)pyrrolidin-3-one
SMILESC=C1CCC(C(=O)N2CC(=O)CC2CC)CC1
InChIInChI=1S/C14H21NO2/c1-3-12-8-13(16)9-15(12)14(17)11-6-4-10(2)5-7-11/h11-12H,2-9H2,1H3
InChIKeyLBXSRAWNVHZOID-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.31
Rot. Bonds2

About 5-ethyl-1-(4-methylidenecyclohexanecarbonyl)pyrrolidin-3-one

5-ethyl-1-(4-methylidenecyclohexanecarbonyl)pyrrolidin-3-one (PubChem CID 91082136) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-ethyl-1-(4-methylidenecyclohexanecarbonyl)pyrrolidin-3-one.

Molecular Properties

Compound Name5-ethyl-1-(4-methylidenecyclohexanecarbonyl)pyrrolidin-3-one
PubChem CID91082136
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name5-ethyl-1-(4-methylidenecyclohexanecarbonyl)pyrrolidin-3-one
SMILESC=C1CCC(C(=O)N2CC(=O)CC2CC)CC1
InChIInChI=1S/C14H21NO2/c1-3-12-8-13(16)9-15(12)14(17)11-6-4-10(2)5-7-11/h11-12H,2-9H2,1H3
InChIKeyLBXSRAWNVHZOID-UHFFFAOYSA-N
XLogP2.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.31
H-Bond Donors ≤ 50
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 5-ethyl-1-(4-methylidenecyclohexanecarbonyl)pyrrolidin-3-one?
The IUPAC name of 5-ethyl-1-(4-methylidenecyclohexanecarbonyl)pyrrolidin-3-one (CID 91082136) is 5-ethyl-1-(4-methylidenecyclohexanecarbonyl)pyrrolidin-3-one.
What is the SMILES notation for 5-ethyl-1-(4-methylidenecyclohexanecarbonyl)pyrrolidin-3-one?
The canonical SMILES for 5-ethyl-1-(4-methylidenecyclohexanecarbonyl)pyrrolidin-3-one is C=C1CCC(C(=O)N2CC(=O)CC2CC)CC1.
What is the InChIKey of 5-ethyl-1-(4-methylidenecyclohexanecarbonyl)pyrrolidin-3-one?
The InChIKey is LBXSRAWNVHZOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-12-8-13(16)9-15(12)14(17)11-6-4-10(2)5-7-11/h11-12H,2-9H2,1H3.
What are the key properties of 5-ethyl-1-(4-methylidenecyclohexanecarbonyl)pyrrolidin-3-one?
5-ethyl-1-(4-methylidenecyclohexanecarbonyl)pyrrolidin-3-one has a molecular weight of 235.33 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(4-methylidenecyclohexanecarbonyl)pyrrolidin-3-one is sourced from PubChem (CID 91082136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).