CID 149362037

C14H11AlFNO2 — CID 149362037

IUPAC—
SMILESCC1(C)O/C(=C2/C(=O)Nc3cc(F)ccc32)C=C1[Al]
InChIInChI=1S/C14H11FNO2.Al/c1-14(2)6-5-11(18-14)12-9-4-3-8(15)7-10(9)16-13(12)17;/h3-5,7H,1-2H3,(H,16,17);/b12-11+;
InChIKeyVXLIBOKVVPHLKM-CALJPSDSSA-N
MW271.23 g/mol
LogP2.35
Rot. Bonds

About CID 149362037

CID 149362037 (PubChem CID 149362037) has the molecular formula C14H11AlFNO2 and a molecular weight of 271.23 g/mol.

Molecular Properties

Compound NameCID 149362037
PubChem CID149362037
Molecular FormulaC14H11AlFNO2
Molecular Weight271.23 g/mol
Exact Mass271.06
IUPAC Name—
SMILESCC1(C)O/C(=C2/C(=O)Nc3cc(F)ccc32)C=C1[Al]
InChIInChI=1S/C14H11FNO2.Al/c1-14(2)6-5-11(18-14)12-9-4-3-8(15)7-10(9)16-13(12)17;/h3-5,7H,1-2H3,(H,16,17);/b12-11+;
InChIKeyVXLIBOKVVPHLKM-CALJPSDSSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 149362037 with MolForge

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

Launch Full Analysis

Related Compounds

4-[(5E)-5-(6-fluoro-2-oxo-1H-indol-3-ylidene)-2,2-dimethylfuran-3-yl]benzaldehyde
CID 58926440
CID 147616014
CID 147616014
3-[4-[4-[(dimethylamino)methyl]phenyl]-5,5-dimethylfuran-2-ylidene]-6-fluoro-1H-indol-2-one
CID 69451046
2-[4-[(5E)-5-(6-fluoro-2-oxo-1H-indol-3-ylidene)-2,2-dimethylfuran-3-yl]phenyl]acetic acid
CID 58926197
(3E)-6-fluoro-3-[4-[4-(methoxymethyl)phenyl]-5,5-dimethylfuran-2-ylidene]-1H-indol-2-one
CID 58926361
(3E)-3-(4-bromo-5,5-dimethylfuran-2-ylidene)-5-fluoro-1H-indol-2-one
CID 58926327
N-[3-[(5E)-5-(6-fluoro-2-oxo-1H-indol-3-ylidene)-2,2-dimethylfuran-3-yl]phenyl]methanesulfonamide
CID 58926002
(3E)-3-(5,5-dimethyl-4-quinolin-6-ylfuran-2-ylidene)-6-fluoro-1H-indol-2-one
CID 58926432
3-[4-[(5E)-5-(6-fluoro-2-oxo-1H-indol-3-ylidene)-2,2-dimethylfuran-3-yl]phenyl]-2-methylpropanoic acid
CID 58926460
methyl 3-[(5E)-5-(6-fluoro-2-oxo-1H-indol-3-ylidene)-2,2-dimethylfuran-3-yl]benzoate
CID 58926190
3-[5,5-dimethyl-4-[4-(piperazin-1-ylmethyl)phenyl]furan-2-ylidene]-6-fluoro-1H-indol-2-one
CID 123838875
6-fluoro-3-[4-[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]-5,5-dimethylfuran-2-ylidene]-1H-indol-2-one
CID 69451466

Frequently Asked Questions

What is the IUPAC name of CID 149362037?
The IUPAC name of CID 149362037 (CID 149362037) is not available.
What is the SMILES notation for CID 149362037?
The canonical SMILES for CID 149362037 is CC1(C)O/C(=C2/C(=O)Nc3cc(F)ccc32)C=C1[Al].
What is the InChIKey of CID 149362037?
The InChIKey is VXLIBOKVVPHLKM-CALJPSDSSA-N. The full InChI is InChI=1S/C14H11FNO2.Al/c1-14(2)6-5-11(18-14)12-9-4-3-8(15)7-10(9)16-13(12)17;/h3-5,7H,1-2H3,(H,16,17);/b12-11+;.
What are the key properties of CID 149362037?
CID 149362037 has a molecular weight of 271.23 g/mol, XLogP of 2.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 149362037 is sourced from PubChem (CID 149362037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).