6-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-1,6,7,8,9,9a-hexahydroquinolizin-4-one

C15H18FNO — CID 143857744

IUPAC6-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-1,6,7,8,9,9a-hexahydroquinolizin-4-one
SMILESC=C(F)/C=C\C(=C)C1CCCC2CC=CC(=O)N21
InChIInChI=1S/C15H18FNO/c1-11(9-10-12(2)16)14-7-3-5-13-6-4-8-15(18)17(13)14/h4,8-10,13-14H,1-3,5-7H2/b10-9-
InChIKeyLDCFNZWOSWBZEX-KTKRTIGZSA-N
MW247.31 g/mol
LogP3.29
Rot. Bonds3

About 6-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-1,6,7,8,9,9a-hexahydroquinolizin-4-one

6-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-1,6,7,8,9,9a-hexahydroquinolizin-4-one (PubChem CID 143857744) has the molecular formula C15H18FNO and a molecular weight of 247.31 g/mol. Its IUPAC name is 6-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-1,6,7,8,9,9a-hexahydroquinolizin-4-one.

Molecular Properties

Compound Name6-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-1,6,7,8,9,9a-hexahydroquinolizin-4-one
PubChem CID143857744
Molecular FormulaC15H18FNO
Molecular Weight247.31 g/mol
Exact Mass247.14
IUPAC Name6-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-1,6,7,8,9,9a-hexahydroquinolizin-4-one
SMILESC=C(F)/C=C\C(=C)C1CCCC2CC=CC(=O)N21
InChIInChI=1S/C15H18FNO/c1-11(9-10-12(2)16)14-7-3-5-13-6-4-8-15(18)17(13)14/h4,8-10,13-14H,1-3,5-7H2/b10-9-
InChIKeyLDCFNZWOSWBZEX-KTKRTIGZSA-N
XLogP3.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-1,6,7,8,9,9a-hexahydroquinolizin-4-one?
The IUPAC name of 6-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-1,6,7,8,9,9a-hexahydroquinolizin-4-one (CID 143857744) is 6-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-1,6,7,8,9,9a-hexahydroquinolizin-4-one.
What is the SMILES notation for 6-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-1,6,7,8,9,9a-hexahydroquinolizin-4-one?
The canonical SMILES for 6-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-1,6,7,8,9,9a-hexahydroquinolizin-4-one is C=C(F)/C=C\C(=C)C1CCCC2CC=CC(=O)N21.
What is the InChIKey of 6-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-1,6,7,8,9,9a-hexahydroquinolizin-4-one?
The InChIKey is LDCFNZWOSWBZEX-KTKRTIGZSA-N. The full InChI is InChI=1S/C15H18FNO/c1-11(9-10-12(2)16)14-7-3-5-13-6-4-8-15(18)17(13)14/h4,8-10,13-14H,1-3,5-7H2/b10-9-.
What are the key properties of 6-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-1,6,7,8,9,9a-hexahydroquinolizin-4-one?
6-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-1,6,7,8,9,9a-hexahydroquinolizin-4-one has a molecular weight of 247.31 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-1,6,7,8,9,9a-hexahydroquinolizin-4-one is sourced from PubChem (CID 143857744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).