ethyl prop-2-enoate;1H-indene

C14H16O2 — CID 174624786

IUPACethyl prop-2-enoate;1H-indene
SMILESC1=Cc2ccccc2C1.C=CC(=O)OCC
InChIInChI=1S/C9H8.C5H8O2/c1-2-5-9-7-3-6-8(9)4-1;1-3-5(6)7-4-2/h1-6H,7H2;3H,1,4H2,2H3
InChIKeyLKVBDOMPDRDHMI-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.99
Rot. Bonds2

About ethyl prop-2-enoate;1H-indene

ethyl prop-2-enoate;1H-indene (PubChem CID 174624786) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is ethyl prop-2-enoate;1H-indene.

Molecular Properties

Compound Nameethyl prop-2-enoate;1H-indene
PubChem CID174624786
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Nameethyl prop-2-enoate;1H-indene
SMILESC1=Cc2ccccc2C1.C=CC(=O)OCC
InChIInChI=1S/C9H8.C5H8O2/c1-2-5-9-7-3-6-8(9)4-1;1-3-5(6)7-4-2/h1-6H,7H2;3H,1,4H2,2H3
InChIKeyLKVBDOMPDRDHMI-UHFFFAOYSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.99
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

ethoxyethane;1H-indene
CID 86747629
anthracene-9,10-dione;ethyl prop-2-enoate
CID 70637632
ethenamine;ethyl prop-2-enoate
CID 22022699
1H-indene;methane
CID 22114429
ethyl prop-2-enoate;sulfane
CID 157093783
ethyl prop-2-enoate;hydroiodide
CID 159738872
ethyl prop-2-enoate;hydrochloride
CID 87359594
1,3-dihydroinden-2-one;ethane;1H-indene;methanol
CID 158820354
ethene;ethyl prop-2-enoate;urea
CID 22098038
chloroethene;ethene;ethyl prop-2-enoate
CID 86733401
butyl prop-2-enoate;1,2-xylene
CID 70409011
ethyl prop-2-enoate;methanesulfonic acid
CID 159762482

Frequently Asked Questions

What is the IUPAC name of ethyl prop-2-enoate;1H-indene?
The IUPAC name of ethyl prop-2-enoate;1H-indene (CID 174624786) is ethyl prop-2-enoate;1H-indene.
What is the SMILES notation for ethyl prop-2-enoate;1H-indene?
The canonical SMILES for ethyl prop-2-enoate;1H-indene is C1=Cc2ccccc2C1.C=CC(=O)OCC.
What is the InChIKey of ethyl prop-2-enoate;1H-indene?
The InChIKey is LKVBDOMPDRDHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8.C5H8O2/c1-2-5-9-7-3-6-8(9)4-1;1-3-5(6)7-4-2/h1-6H,7H2;3H,1,4H2,2H3.
What are the key properties of ethyl prop-2-enoate;1H-indene?
ethyl prop-2-enoate;1H-indene has a molecular weight of 216.28 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl prop-2-enoate;1H-indene is sourced from PubChem (CID 174624786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).