1-cyclohept-4-en-1-yl-2H-pyrrol-5-one

C11H15NO — CID 15540671

IUPAC1-cyclohept-4-en-1-yl-2H-pyrrol-5-one
SMILESO=C1C=CCN1C1CCC=CCC1
InChIInChI=1S/C11H15NO/c13-11-8-5-9-12(11)10-6-3-1-2-4-7-10/h1-2,5,8,10H,3-4,6-7,9H2
InChIKeyJZFWGIGCSLCKNH-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.88
Rot. Bonds1

About 1-cyclohept-4-en-1-yl-2H-pyrrol-5-one

1-cyclohept-4-en-1-yl-2H-pyrrol-5-one (PubChem CID 15540671) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-cyclohept-4-en-1-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-cyclohept-4-en-1-yl-2H-pyrrol-5-one
PubChem CID15540671
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name1-cyclohept-4-en-1-yl-2H-pyrrol-5-one
SMILESO=C1C=CCN1C1CCC=CCC1
InChIInChI=1S/C11H15NO/c13-11-8-5-9-12(11)10-6-3-1-2-4-7-10/h1-2,5,8,10H,3-4,6-7,9H2
InChIKeyJZFWGIGCSLCKNH-UHFFFAOYSA-N
XLogP1.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-cyclohept-4-en-1-yl-2H-pyrrol-5-one?
The IUPAC name of 1-cyclohept-4-en-1-yl-2H-pyrrol-5-one (CID 15540671) is 1-cyclohept-4-en-1-yl-2H-pyrrol-5-one.
What is the SMILES notation for 1-cyclohept-4-en-1-yl-2H-pyrrol-5-one?
The canonical SMILES for 1-cyclohept-4-en-1-yl-2H-pyrrol-5-one is O=C1C=CCN1C1CCC=CCC1.
What is the InChIKey of 1-cyclohept-4-en-1-yl-2H-pyrrol-5-one?
The InChIKey is JZFWGIGCSLCKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c13-11-8-5-9-12(11)10-6-3-1-2-4-7-10/h1-2,5,8,10H,3-4,6-7,9H2.
What are the key properties of 1-cyclohept-4-en-1-yl-2H-pyrrol-5-one?
1-cyclohept-4-en-1-yl-2H-pyrrol-5-one has a molecular weight of 177.25 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohept-4-en-1-yl-2H-pyrrol-5-one is sourced from PubChem (CID 15540671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).