1,2-dihydroacenaphthylene;methyl prop-2-enoate

C16H16O2 — CID 174934441

IUPAC1,2-dihydroacenaphthylene;methyl prop-2-enoate
SMILESC=CC(=O)OC.c1cc2c3c(cccc3c1)CC2
InChIInChI=1S/C12H10.C4H6O2/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11;1-3-4(5)6-2/h1-6H,7-8H2;3H,1H2,2H3
InChIKeyQGHMEIUDIGHCMT-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.28
Rot. Bonds1

About 1,2-dihydroacenaphthylene;methyl prop-2-enoate

1,2-dihydroacenaphthylene;methyl prop-2-enoate (PubChem CID 174934441) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1,2-dihydroacenaphthylene;methyl prop-2-enoate.

Molecular Properties

Compound Name1,2-dihydroacenaphthylene;methyl prop-2-enoate
PubChem CID174934441
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name1,2-dihydroacenaphthylene;methyl prop-2-enoate
SMILESC=CC(=O)OC.c1cc2c3c(cccc3c1)CC2
InChIInChI=1S/C12H10.C4H6O2/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11;1-3-4(5)6-2/h1-6H,7-8H2;3H,1H2,2H3
InChIKeyQGHMEIUDIGHCMT-UHFFFAOYSA-N
XLogP3.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.28
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 1,2-dihydroacenaphthylene;methyl prop-2-enoate?
The IUPAC name of 1,2-dihydroacenaphthylene;methyl prop-2-enoate (CID 174934441) is 1,2-dihydroacenaphthylene;methyl prop-2-enoate.
What is the SMILES notation for 1,2-dihydroacenaphthylene;methyl prop-2-enoate?
The canonical SMILES for 1,2-dihydroacenaphthylene;methyl prop-2-enoate is C=CC(=O)OC.c1cc2c3c(cccc3c1)CC2.
What is the InChIKey of 1,2-dihydroacenaphthylene;methyl prop-2-enoate?
The InChIKey is QGHMEIUDIGHCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C4H6O2/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11;1-3-4(5)6-2/h1-6H,7-8H2;3H,1H2,2H3.
What are the key properties of 1,2-dihydroacenaphthylene;methyl prop-2-enoate?
1,2-dihydroacenaphthylene;methyl prop-2-enoate has a molecular weight of 240.30 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroacenaphthylene;methyl prop-2-enoate is sourced from PubChem (CID 174934441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).