(2E)-N-cyclobutyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)acetamide

C15H16FNO — CID 10977718

IUPAC(2E)-N-cyclobutyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)acetamide
SMILESO=C(/C=C1\CCc2ccc(F)cc21)NC1CCC1
InChIInChI=1S/C15H16FNO/c16-12-7-6-10-4-5-11(14(10)9-12)8-15(18)17-13-2-1-3-13/h6-9,13H,1-5H2,(H,17,18)/b11-8+
InChIKeyAJXQGLCZWKYLLM-DHZHZOJOSA-N
MW245.30 g/mol
LogP2.82
Rot. Bonds2

About (2E)-N-cyclobutyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)acetamide

(2E)-N-cyclobutyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)acetamide (PubChem CID 10977718) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is (2E)-N-cyclobutyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)acetamide.

Molecular Properties

Compound Name(2E)-N-cyclobutyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)acetamide
PubChem CID10977718
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name(2E)-N-cyclobutyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)acetamide
SMILESO=C(/C=C1\CCc2ccc(F)cc21)NC1CCC1
InChIInChI=1S/C15H16FNO/c16-12-7-6-10-4-5-11(14(10)9-12)8-15(18)17-13-2-1-3-13/h6-9,13H,1-5H2,(H,17,18)/b11-8+
InChIKeyAJXQGLCZWKYLLM-DHZHZOJOSA-N
XLogP2.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
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 (2E)-N-cyclobutyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)acetamide?
The IUPAC name of (2E)-N-cyclobutyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)acetamide (CID 10977718) is (2E)-N-cyclobutyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)acetamide.
What is the SMILES notation for (2E)-N-cyclobutyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)acetamide?
The canonical SMILES for (2E)-N-cyclobutyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)acetamide is O=C(/C=C1\CCc2ccc(F)cc21)NC1CCC1.
What is the InChIKey of (2E)-N-cyclobutyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)acetamide?
The InChIKey is AJXQGLCZWKYLLM-DHZHZOJOSA-N. The full InChI is InChI=1S/C15H16FNO/c16-12-7-6-10-4-5-11(14(10)9-12)8-15(18)17-13-2-1-3-13/h6-9,13H,1-5H2,(H,17,18)/b11-8+.
What are the key properties of (2E)-N-cyclobutyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)acetamide?
(2E)-N-cyclobutyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)acetamide has a molecular weight of 245.30 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-cyclobutyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)acetamide is sourced from PubChem (CID 10977718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).