(E)-5-fluoren-9-ylidenepent-3-en-2-one

C18H14O — CID 177483732

IUPAC(E)-5-fluoren-9-ylidenepent-3-en-2-one
SMILESCC(=O)/C=C/C=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H14O/c1-13(19)7-6-12-18-16-10-4-2-8-14(16)15-9-3-5-11-17(15)18/h2-12H,1H3/b7-6+
InChIKeyNHBCMNQISNLVIB-VOTSOKGWSA-N
MW246.31 g/mol
LogP4.24
Rot. Bonds2

About (E)-5-fluoren-9-ylidenepent-3-en-2-one

(E)-5-fluoren-9-ylidenepent-3-en-2-one (PubChem CID 177483732) has the molecular formula C18H14O and a molecular weight of 246.31 g/mol. Its IUPAC name is (E)-5-fluoren-9-ylidenepent-3-en-2-one.

Molecular Properties

Compound Name(E)-5-fluoren-9-ylidenepent-3-en-2-one
PubChem CID177483732
Molecular FormulaC18H14O
Molecular Weight246.31 g/mol
Exact Mass246.10
IUPAC Name(E)-5-fluoren-9-ylidenepent-3-en-2-one
SMILESCC(=O)/C=C/C=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H14O/c1-13(19)7-6-12-18-16-10-4-2-8-14(16)15-9-3-5-11-17(15)18/h2-12H,1H3/b7-6+
InChIKeyNHBCMNQISNLVIB-VOTSOKGWSA-N
XLogP4.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-5-fluoren-9-ylidenepent-3-en-2-one?
The IUPAC name of (E)-5-fluoren-9-ylidenepent-3-en-2-one (CID 177483732) is (E)-5-fluoren-9-ylidenepent-3-en-2-one.
What is the SMILES notation for (E)-5-fluoren-9-ylidenepent-3-en-2-one?
The canonical SMILES for (E)-5-fluoren-9-ylidenepent-3-en-2-one is CC(=O)/C=C/C=C1c2ccccc2-c2ccccc21.
What is the InChIKey of (E)-5-fluoren-9-ylidenepent-3-en-2-one?
The InChIKey is NHBCMNQISNLVIB-VOTSOKGWSA-N. The full InChI is InChI=1S/C18H14O/c1-13(19)7-6-12-18-16-10-4-2-8-14(16)15-9-3-5-11-17(15)18/h2-12H,1H3/b7-6+.
What are the key properties of (E)-5-fluoren-9-ylidenepent-3-en-2-one?
(E)-5-fluoren-9-ylidenepent-3-en-2-one has a molecular weight of 246.31 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-fluoren-9-ylidenepent-3-en-2-one is sourced from PubChem (CID 177483732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).