methyl (2Z)-2-(5,6-dihydrobenzo[a]fluoren-11-ylidene)acetate

C20H16O2 — CID 53483298

IUPACmethyl (2Z)-2-(5,6-dihydrobenzo[a]fluoren-11-ylidene)acetate
SMILESCOC(=O)/C=C1\C2=C(CCc3ccccc32)c2ccccc21
InChIInChI=1S/C20H16O2/c1-22-19(21)12-18-16-9-5-4-8-15(16)17-11-10-13-6-2-3-7-14(13)20(17)18/h2-9,12H,10-11H2,1H3/b18-12-
InChIKeyGNPCEMNURXNEGR-PDGQHHTCSA-N
MW288.35 g/mol
LogP4.11
Rot. Bonds1

About methyl (2Z)-2-(5,6-dihydrobenzo[a]fluoren-11-ylidene)acetate

methyl (2Z)-2-(5,6-dihydrobenzo[a]fluoren-11-ylidene)acetate (PubChem CID 53483298) has the molecular formula C20H16O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is methyl (2Z)-2-(5,6-dihydrobenzo[a]fluoren-11-ylidene)acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-(5,6-dihydrobenzo[a]fluoren-11-ylidene)acetate
PubChem CID53483298
Molecular FormulaC20H16O2
Molecular Weight288.35 g/mol
Exact Mass288.12
IUPAC Namemethyl (2Z)-2-(5,6-dihydrobenzo[a]fluoren-11-ylidene)acetate
SMILESCOC(=O)/C=C1\C2=C(CCc3ccccc32)c2ccccc21
InChIInChI=1S/C20H16O2/c1-22-19(21)12-18-16-9-5-4-8-15(16)17-11-10-13-6-2-3-7-14(13)20(17)18/h2-9,12H,10-11H2,1H3/b18-12-
InChIKeyGNPCEMNURXNEGR-PDGQHHTCSA-N
XLogP4.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(6H-benzo[c][1]benzoxepin-11-ylidene)acetate
CID 139710128
methyl 2-indeno[1,2-b]quinoxalin-11-ylideneacetate
CID 71406787
methyl (E)-3-(1-bromo-3,4-dihydronaphthalen-2-yl)prop-2-enoate
CID 101391920
methyl (2Z)-2-(3,4-dihydro-1H-quinolin-2-ylidene)acetate
CID 11063517
ethyl (2Z)-2-(2,3-dihydroinden-1-ylidene)acetate
CID 23288817
methyl (2E)-2-(1-methyl-2-oxoindol-3-ylidene)acetate
CID 11367934
methyl 2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-6-carboxylate
CID 18998711
1,2-dihydroacenaphthylene;methyl prop-2-enoate
CID 174934441
ethyl 2-(4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)acetate
CID 172740654
methyl 4-(8,9-dihydrobenzo[7]annulen-5-ylidene)but-2-enoate
CID 54506077
methyl (E)-3-[(E)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]oxyprop-2-enoate
CID 11821314
methyl (E)-3-(2-butyl-3,4-dihydronaphthalen-1-yl)prop-2-enoate
CID 139030405

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-(5,6-dihydrobenzo[a]fluoren-11-ylidene)acetate?
The IUPAC name of methyl (2Z)-2-(5,6-dihydrobenzo[a]fluoren-11-ylidene)acetate (CID 53483298) is methyl (2Z)-2-(5,6-dihydrobenzo[a]fluoren-11-ylidene)acetate.
What is the SMILES notation for methyl (2Z)-2-(5,6-dihydrobenzo[a]fluoren-11-ylidene)acetate?
The canonical SMILES for methyl (2Z)-2-(5,6-dihydrobenzo[a]fluoren-11-ylidene)acetate is COC(=O)/C=C1\C2=C(CCc3ccccc32)c2ccccc21.
What is the InChIKey of methyl (2Z)-2-(5,6-dihydrobenzo[a]fluoren-11-ylidene)acetate?
The InChIKey is GNPCEMNURXNEGR-PDGQHHTCSA-N. The full InChI is InChI=1S/C20H16O2/c1-22-19(21)12-18-16-9-5-4-8-15(16)17-11-10-13-6-2-3-7-14(13)20(17)18/h2-9,12H,10-11H2,1H3/b18-12-.
What are the key properties of methyl (2Z)-2-(5,6-dihydrobenzo[a]fluoren-11-ylidene)acetate?
methyl (2Z)-2-(5,6-dihydrobenzo[a]fluoren-11-ylidene)acetate has a molecular weight of 288.35 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-(5,6-dihydrobenzo[a]fluoren-11-ylidene)acetate is sourced from PubChem (CID 53483298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).