1-[(Z)-(2-oxocyclohexylidene)methyl]pyrrolidin-2-one

C11H15NO2 — CID 121221932

IUPAC1-[(Z)-(2-oxocyclohexylidene)methyl]pyrrolidin-2-one
SMILESO=C1CCCC/C1=C/N1CCCC1=O
InChIInChI=1S/C11H15NO2/c13-10-5-2-1-4-9(10)8-12-7-3-6-11(12)14/h8H,1-7H2/b9-8-
InChIKeyBLBDQUQLSIVIAD-HJWRWDBZSA-N
MW193.25 g/mol
LogP1.64
Rot. Bonds1

About 1-[(Z)-(2-oxocyclohexylidene)methyl]pyrrolidin-2-one

1-[(Z)-(2-oxocyclohexylidene)methyl]pyrrolidin-2-one (PubChem CID 121221932) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-[(Z)-(2-oxocyclohexylidene)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(Z)-(2-oxocyclohexylidene)methyl]pyrrolidin-2-one
PubChem CID121221932
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1-[(Z)-(2-oxocyclohexylidene)methyl]pyrrolidin-2-one
SMILESO=C1CCCC/C1=C/N1CCCC1=O
InChIInChI=1S/C11H15NO2/c13-10-5-2-1-4-9(10)8-12-7-3-6-11(12)14/h8H,1-7H2/b9-8-
InChIKeyBLBDQUQLSIVIAD-HJWRWDBZSA-N
XLogP1.64
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(cycloheptylidenemethyl)pyrrolidin-2-one
CID 102490481
1-ethenylpiperidin-2-one;1-ethenylpyrrolidin-2-one
CID 22992740
(2E)-2-[(4-methylpiperazin-4-ium-1-yl)methylidene]cyclohexan-1-one
CID 2316372
1-[(Z)-2-iodoethenyl]pyrrolidin-2-one
CID 124586002
1-(2,2-dihydroxyethenyl)pyrrolidin-2-one
CID 175238388
2,2-dimethyl-5-[(2-oxopiperidin-1-yl)methylidene]-1,3-dioxane-4,6-dione
CID 44551135
carbanide;dichloro-[(2-oxopyrrolidin-1-yl)methylidene]ruthenium
CID 21044567
1-penta-1,3-dienylpyrrolidin-2-one
CID 170549947
1,1-dichloroethene;1-ethenylpyrrolidin-2-one
CID 19798230
1-[(Z)-2-[4-(aminomethyl)phenyl]ethenyl]pyrrolidin-2-one
CID 150381870
1-[(E)-3-oxobut-1-enyl]pyrrolidin-2-one
CID 131233341
1-ethenylpyrrolidin-2-one;prop-2-enenitrile
CID 20525303

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-(2-oxocyclohexylidene)methyl]pyrrolidin-2-one?
The IUPAC name of 1-[(Z)-(2-oxocyclohexylidene)methyl]pyrrolidin-2-one (CID 121221932) is 1-[(Z)-(2-oxocyclohexylidene)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(Z)-(2-oxocyclohexylidene)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(Z)-(2-oxocyclohexylidene)methyl]pyrrolidin-2-one is O=C1CCCC/C1=C/N1CCCC1=O.
What is the InChIKey of 1-[(Z)-(2-oxocyclohexylidene)methyl]pyrrolidin-2-one?
The InChIKey is BLBDQUQLSIVIAD-HJWRWDBZSA-N. The full InChI is InChI=1S/C11H15NO2/c13-10-5-2-1-4-9(10)8-12-7-3-6-11(12)14/h8H,1-7H2/b9-8-.
What are the key properties of 1-[(Z)-(2-oxocyclohexylidene)methyl]pyrrolidin-2-one?
1-[(Z)-(2-oxocyclohexylidene)methyl]pyrrolidin-2-one has a molecular weight of 193.25 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-(2-oxocyclohexylidene)methyl]pyrrolidin-2-one is sourced from PubChem (CID 121221932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).