methyl 3-(1,2-dihydroacenaphthylen-5-yl)prop-2-enoate

C16H14O2 — CID 169479674

IUPACmethyl 3-(1,2-dihydroacenaphthylen-5-yl)prop-2-enoate
SMILESCOC(=O)C=Cc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C16H14O2/c1-18-15(17)10-9-11-5-6-13-8-7-12-3-2-4-14(11)16(12)13/h2-6,9-10H,7-8H2,1H3
InChIKeyKGNOLWSRJMUJJN-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.12
Rot. Bonds2

About methyl 3-(1,2-dihydroacenaphthylen-5-yl)prop-2-enoate

methyl 3-(1,2-dihydroacenaphthylen-5-yl)prop-2-enoate (PubChem CID 169479674) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is methyl 3-(1,2-dihydroacenaphthylen-5-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-(1,2-dihydroacenaphthylen-5-yl)prop-2-enoate
PubChem CID169479674
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Namemethyl 3-(1,2-dihydroacenaphthylen-5-yl)prop-2-enoate
SMILESCOC(=O)C=Cc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C16H14O2/c1-18-15(17)10-9-11-5-6-13-8-7-12-3-2-4-14(11)16(12)13/h2-6,9-10H,7-8H2,1H3
InChIKeyKGNOLWSRJMUJJN-UHFFFAOYSA-N
XLogP3.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.12
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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Related Compounds

ethyl 4-(1,2-dihydroacenaphthylen-5-yl)but-3-enoate
CID 170797038
S-[3-(1,2-dihydroacenaphthylen-5-yl)prop-2-enyl] ethanethioate
CID 169458118
methyl 3-(1,2,3,4-tetrahydroisoquinolin-5-yl)prop-2-enoate
CID 169479132
3-(3,5-dichloro-2-methoxyphenyl)-N-(1,2-dihydroacenaphthylen-5-yl)prop-2-enamide
CID 3922854
methyl (E)-3-[4-[5-[4-[(E)-3-methoxy-3-oxoprop-1-enyl]naphthalen-1-yl]pentyl]naphthalen-1-yl]prop-2-enoate
CID 15467784
methyl (E)-3-(1-bromo-3,4-dihydronaphthalen-2-yl)prop-2-enoate
CID 101391920
methyl (E)-3-(2-aminophenyl)prop-2-enoate
CID 11240788
methyl 3-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-2-yl)prop-2-enoate
CID 87113568
1,2-dihydroacenaphthylene;methyl prop-2-enoate
CID 174934441
5-[(E)-3-methoxy-3-oxoprop-1-enyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 155045563
ethane;methyl (E)-3-(2-aminophenyl)prop-2-enoate
CID 91121602
methyl (E)-3-(8-methylnaphthalen-1-yl)prop-2-enoate
CID 145265923

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1,2-dihydroacenaphthylen-5-yl)prop-2-enoate?
The IUPAC name of methyl 3-(1,2-dihydroacenaphthylen-5-yl)prop-2-enoate (CID 169479674) is methyl 3-(1,2-dihydroacenaphthylen-5-yl)prop-2-enoate.
What is the SMILES notation for methyl 3-(1,2-dihydroacenaphthylen-5-yl)prop-2-enoate?
The canonical SMILES for methyl 3-(1,2-dihydroacenaphthylen-5-yl)prop-2-enoate is COC(=O)C=Cc1ccc2c3c(cccc13)CC2.
What is the InChIKey of methyl 3-(1,2-dihydroacenaphthylen-5-yl)prop-2-enoate?
The InChIKey is KGNOLWSRJMUJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c1-18-15(17)10-9-11-5-6-13-8-7-12-3-2-4-14(11)16(12)13/h2-6,9-10H,7-8H2,1H3.
What are the key properties of methyl 3-(1,2-dihydroacenaphthylen-5-yl)prop-2-enoate?
methyl 3-(1,2-dihydroacenaphthylen-5-yl)prop-2-enoate has a molecular weight of 238.29 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1,2-dihydroacenaphthylen-5-yl)prop-2-enoate is sourced from PubChem (CID 169479674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).