4-prop-2-enyl-2,3,4a,5,6,6a-hexahydrobenzo[f]quinolin-1-one

C16H19NO — CID 70192417

IUPAC4-prop-2-enyl-2,3,4a,5,6,6a-hexahydrobenzo[f]quinolin-1-one
SMILESC=CCN1CCC(=O)C2=C3C=CC=CC3CCC21
InChIInChI=1S/C16H19NO/c1-2-10-17-11-9-15(18)16-13-6-4-3-5-12(13)7-8-14(16)17/h2-6,12,14H,1,7-11H2
InChIKeyLKURXIKHKOZZMG-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.65
Rot. Bonds2

About 4-prop-2-enyl-2,3,4a,5,6,6a-hexahydrobenzo[f]quinolin-1-one

4-prop-2-enyl-2,3,4a,5,6,6a-hexahydrobenzo[f]quinolin-1-one (PubChem CID 70192417) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-prop-2-enyl-2,3,4a,5,6,6a-hexahydrobenzo[f]quinolin-1-one.

Molecular Properties

Compound Name4-prop-2-enyl-2,3,4a,5,6,6a-hexahydrobenzo[f]quinolin-1-one
PubChem CID70192417
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name4-prop-2-enyl-2,3,4a,5,6,6a-hexahydrobenzo[f]quinolin-1-one
SMILESC=CCN1CCC(=O)C2=C3C=CC=CC3CCC21
InChIInChI=1S/C16H19NO/c1-2-10-17-11-9-15(18)16-13-6-4-3-5-12(13)7-8-14(16)17/h2-6,12,14H,1,7-11H2
InChIKeyLKURXIKHKOZZMG-UHFFFAOYSA-N
XLogP2.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.65
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 4-prop-2-enyl-2,3,4a,5,6,6a-hexahydrobenzo[f]quinolin-1-one?
The IUPAC name of 4-prop-2-enyl-2,3,4a,5,6,6a-hexahydrobenzo[f]quinolin-1-one (CID 70192417) is 4-prop-2-enyl-2,3,4a,5,6,6a-hexahydrobenzo[f]quinolin-1-one.
What is the SMILES notation for 4-prop-2-enyl-2,3,4a,5,6,6a-hexahydrobenzo[f]quinolin-1-one?
The canonical SMILES for 4-prop-2-enyl-2,3,4a,5,6,6a-hexahydrobenzo[f]quinolin-1-one is C=CCN1CCC(=O)C2=C3C=CC=CC3CCC21.
What is the InChIKey of 4-prop-2-enyl-2,3,4a,5,6,6a-hexahydrobenzo[f]quinolin-1-one?
The InChIKey is LKURXIKHKOZZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-2-10-17-11-9-15(18)16-13-6-4-3-5-12(13)7-8-14(16)17/h2-6,12,14H,1,7-11H2.
What are the key properties of 4-prop-2-enyl-2,3,4a,5,6,6a-hexahydrobenzo[f]quinolin-1-one?
4-prop-2-enyl-2,3,4a,5,6,6a-hexahydrobenzo[f]quinolin-1-one has a molecular weight of 241.33 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enyl-2,3,4a,5,6,6a-hexahydrobenzo[f]quinolin-1-one is sourced from PubChem (CID 70192417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).