3-cyclohept-4-en-1-yl-1H-quinolin-2-one

C16H17NO — CID 71197719

IUPAC3-cyclohept-4-en-1-yl-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1C1CCC=CCC1
InChIInChI=1S/C16H17NO/c18-16-14(12-7-3-1-2-4-8-12)11-13-9-5-6-10-15(13)17-16/h1-2,5-6,9-12H,3-4,7-8H2,(H,17,18)
InChIKeySLCLATRCPXGXNS-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.74
Rot. Bonds1

About 3-cyclohept-4-en-1-yl-1H-quinolin-2-one

3-cyclohept-4-en-1-yl-1H-quinolin-2-one (PubChem CID 71197719) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-cyclohept-4-en-1-yl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-cyclohept-4-en-1-yl-1H-quinolin-2-one
PubChem CID71197719
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name3-cyclohept-4-en-1-yl-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1C1CCC=CCC1
InChIInChI=1S/C16H17NO/c18-16-14(12-7-3-1-2-4-8-12)11-13-9-5-6-10-15(13)17-16/h1-2,5-6,9-12H,3-4,7-8H2,(H,17,18)
InChIKeySLCLATRCPXGXNS-UHFFFAOYSA-N
XLogP3.74
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
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 3-cyclohept-4-en-1-yl-1H-quinolin-2-one?
The IUPAC name of 3-cyclohept-4-en-1-yl-1H-quinolin-2-one (CID 71197719) is 3-cyclohept-4-en-1-yl-1H-quinolin-2-one.
What is the SMILES notation for 3-cyclohept-4-en-1-yl-1H-quinolin-2-one?
The canonical SMILES for 3-cyclohept-4-en-1-yl-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1C1CCC=CCC1.
What is the InChIKey of 3-cyclohept-4-en-1-yl-1H-quinolin-2-one?
The InChIKey is SLCLATRCPXGXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c18-16-14(12-7-3-1-2-4-8-12)11-13-9-5-6-10-15(13)17-16/h1-2,5-6,9-12H,3-4,7-8H2,(H,17,18).
What are the key properties of 3-cyclohept-4-en-1-yl-1H-quinolin-2-one?
3-cyclohept-4-en-1-yl-1H-quinolin-2-one has a molecular weight of 239.32 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohept-4-en-1-yl-1H-quinolin-2-one is sourced from PubChem (CID 71197719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).