(2E)-1-(azetidin-1-yl)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)ethanone

C14H14FNO — CID 10868128

IUPAC(2E)-1-(azetidin-1-yl)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)ethanone
SMILESO=C(/C=C1\CCc2ccc(F)cc21)N1CCC1
InChIInChI=1S/C14H14FNO/c15-12-5-4-10-2-3-11(13(10)9-12)8-14(17)16-6-1-7-16/h4-5,8-9H,1-3,6-7H2/b11-8+
InChIKeyDORLOZVPUCOGGQ-DHZHZOJOSA-N
MW231.27 g/mol
LogP2.39
Rot. Bonds1

About (2E)-1-(azetidin-1-yl)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)ethanone

(2E)-1-(azetidin-1-yl)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)ethanone (PubChem CID 10868128) has the molecular formula C14H14FNO and a molecular weight of 231.27 g/mol. Its IUPAC name is (2E)-1-(azetidin-1-yl)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)ethanone.

Molecular Properties

Compound Name(2E)-1-(azetidin-1-yl)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)ethanone
PubChem CID10868128
Molecular FormulaC14H14FNO
Molecular Weight231.27 g/mol
Exact Mass231.11
IUPAC Name(2E)-1-(azetidin-1-yl)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)ethanone
SMILESO=C(/C=C1\CCc2ccc(F)cc21)N1CCC1
InChIInChI=1S/C14H14FNO/c15-12-5-4-10-2-3-11(13(10)9-12)8-14(17)16-6-1-7-16/h4-5,8-9H,1-3,6-7H2/b11-8+
InChIKeyDORLOZVPUCOGGQ-DHZHZOJOSA-N
XLogP2.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E)-1-(azetidin-1-yl)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E)-1-(azetidin-1-yl)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)ethanone?
The IUPAC name of (2E)-1-(azetidin-1-yl)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)ethanone (CID 10868128) is (2E)-1-(azetidin-1-yl)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)ethanone.
What is the SMILES notation for (2E)-1-(azetidin-1-yl)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)ethanone?
The canonical SMILES for (2E)-1-(azetidin-1-yl)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)ethanone is O=C(/C=C1\CCc2ccc(F)cc21)N1CCC1.
What is the InChIKey of (2E)-1-(azetidin-1-yl)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)ethanone?
The InChIKey is DORLOZVPUCOGGQ-DHZHZOJOSA-N. The full InChI is InChI=1S/C14H14FNO/c15-12-5-4-10-2-3-11(13(10)9-12)8-14(17)16-6-1-7-16/h4-5,8-9H,1-3,6-7H2/b11-8+.
What are the key properties of (2E)-1-(azetidin-1-yl)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)ethanone?
(2E)-1-(azetidin-1-yl)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)ethanone has a molecular weight of 231.27 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-(azetidin-1-yl)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)ethanone is sourced from PubChem (CID 10868128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).