(2Z)-2-[(3-fluoroanilino)methylidene]cyclopentan-1-one

C12H12FNO — CID 7472265

IUPAC(2Z)-2-[(3-fluoroanilino)methylidene]cyclopentan-1-one
SMILESO=C1CCC/C1=C/Nc1cccc(F)c1
InChIInChI=1S/C12H12FNO/c13-10-4-2-5-11(7-10)14-8-9-3-1-6-12(9)15/h2,4-5,7-8,14H,1,3,6H2/b9-8-
InChIKeyVOXGDUJLYSAQHM-HJWRWDBZSA-N
MW205.23 g/mol
LogP2.87
Rot. Bonds2

About (2Z)-2-[(3-fluoroanilino)methylidene]cyclopentan-1-one

(2Z)-2-[(3-fluoroanilino)methylidene]cyclopentan-1-one (PubChem CID 7472265) has the molecular formula C12H12FNO and a molecular weight of 205.23 g/mol. Its IUPAC name is (2Z)-2-[(3-fluoroanilino)methylidene]cyclopentan-1-one.

Molecular Properties

Compound Name(2Z)-2-[(3-fluoroanilino)methylidene]cyclopentan-1-one
PubChem CID7472265
Molecular FormulaC12H12FNO
Molecular Weight205.23 g/mol
Exact Mass205.09
IUPAC Name(2Z)-2-[(3-fluoroanilino)methylidene]cyclopentan-1-one
SMILESO=C1CCC/C1=C/Nc1cccc(F)c1
InChIInChI=1S/C12H12FNO/c13-10-4-2-5-11(7-10)14-8-9-3-1-6-12(9)15/h2,4-5,7-8,14H,1,3,6H2/b9-8-
InChIKeyVOXGDUJLYSAQHM-HJWRWDBZSA-N
XLogP2.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (2Z)-2-[(3-fluoroanilino)methylidene]cyclopentan-1-one?
The IUPAC name of (2Z)-2-[(3-fluoroanilino)methylidene]cyclopentan-1-one (CID 7472265) is (2Z)-2-[(3-fluoroanilino)methylidene]cyclopentan-1-one.
What is the SMILES notation for (2Z)-2-[(3-fluoroanilino)methylidene]cyclopentan-1-one?
The canonical SMILES for (2Z)-2-[(3-fluoroanilino)methylidene]cyclopentan-1-one is O=C1CCC/C1=C/Nc1cccc(F)c1.
What is the InChIKey of (2Z)-2-[(3-fluoroanilino)methylidene]cyclopentan-1-one?
The InChIKey is VOXGDUJLYSAQHM-HJWRWDBZSA-N. The full InChI is InChI=1S/C12H12FNO/c13-10-4-2-5-11(7-10)14-8-9-3-1-6-12(9)15/h2,4-5,7-8,14H,1,3,6H2/b9-8-.
What are the key properties of (2Z)-2-[(3-fluoroanilino)methylidene]cyclopentan-1-one?
(2Z)-2-[(3-fluoroanilino)methylidene]cyclopentan-1-one has a molecular weight of 205.23 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(3-fluoroanilino)methylidene]cyclopentan-1-one is sourced from PubChem (CID 7472265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).