(2E)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-1-morpholin-4-ylethanone

C15H16FNO2 — CID 11043529

IUPAC(2E)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-1-morpholin-4-ylethanone
SMILESO=C(/C=C1\CCc2ccc(F)cc21)N1CCOCC1
InChIInChI=1S/C15H16FNO2/c16-13-4-3-11-1-2-12(14(11)10-13)9-15(18)17-5-7-19-8-6-17/h3-4,9-10H,1-2,5-8H2/b12-9+
InChIKeyGMQNORSAXBLCMY-FMIVXFBMSA-N
MW261.30 g/mol
LogP2.01
Rot. Bonds1

About (2E)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-1-morpholin-4-ylethanone

(2E)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-1-morpholin-4-ylethanone (PubChem CID 11043529) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is (2E)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name(2E)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-1-morpholin-4-ylethanone
PubChem CID11043529
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name(2E)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-1-morpholin-4-ylethanone
SMILESO=C(/C=C1\CCc2ccc(F)cc21)N1CCOCC1
InChIInChI=1S/C15H16FNO2/c16-13-4-3-11-1-2-12(14(11)10-13)9-15(18)17-5-7-19-8-6-17/h3-4,9-10H,1-2,5-8H2/b12-9+
InChIKeyGMQNORSAXBLCMY-FMIVXFBMSA-N
XLogP2.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.01
H-Bond Donors ≤ 50
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 (2E)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-1-morpholin-4-ylethanone?
The IUPAC name of (2E)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-1-morpholin-4-ylethanone (CID 11043529) is (2E)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-1-morpholin-4-ylethanone.
What is the SMILES notation for (2E)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-1-morpholin-4-ylethanone?
The canonical SMILES for (2E)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-1-morpholin-4-ylethanone is O=C(/C=C1\CCc2ccc(F)cc21)N1CCOCC1.
What is the InChIKey of (2E)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-1-morpholin-4-ylethanone?
The InChIKey is GMQNORSAXBLCMY-FMIVXFBMSA-N. The full InChI is InChI=1S/C15H16FNO2/c16-13-4-3-11-1-2-12(14(11)10-13)9-15(18)17-5-7-19-8-6-17/h3-4,9-10H,1-2,5-8H2/b12-9+.
What are the key properties of (2E)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-1-morpholin-4-ylethanone?
(2E)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-1-morpholin-4-ylethanone has a molecular weight of 261.30 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-1-morpholin-4-ylethanone is sourced from PubChem (CID 11043529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).