prop-2-enyl 2,3-dihydro-1H-indene-5-carboxylate

C13H14O2 — CID 58125258

IUPACprop-2-enyl 2,3-dihydro-1H-indene-5-carboxylate
SMILESC=CCOC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C13H14O2/c1-2-8-15-13(14)12-7-6-10-4-3-5-11(10)9-12/h2,6-7,9H,1,3-5,8H2
InChIKeyJACNAGXHWCBURN-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.52
Rot. Bonds3

About prop-2-enyl 2,3-dihydro-1H-indene-5-carboxylate

prop-2-enyl 2,3-dihydro-1H-indene-5-carboxylate (PubChem CID 58125258) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is prop-2-enyl 2,3-dihydro-1H-indene-5-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 2,3-dihydro-1H-indene-5-carboxylate
PubChem CID58125258
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Nameprop-2-enyl 2,3-dihydro-1H-indene-5-carboxylate
SMILESC=CCOC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C13H14O2/c1-2-8-15-13(14)12-7-6-10-4-3-5-11(10)9-12/h2,6-7,9H,1,3-5,8H2
InChIKeyJACNAGXHWCBURN-UHFFFAOYSA-N
XLogP2.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,6,7,8-tetrahydronaphthalene-2-carbonyloxymethyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 118313504
prop-2-enyl 2,3-dihydro-1H-indole-6-carboxylate;hydrochloride
CID 66972289
propan-2-yl 2,3-dihydro-1H-indene-5-carboxylate
CID 60704491
(4-methoxycarbonylphenyl)methyl 2,3-dihydro-1H-indene-5-carboxylate
CID 9010500
prop-2-enyl 6-prop-2-enoxynaphthalene-2-carboxylate
CID 90322332
1-(2,3-dihydro-1H-inden-5-yl)-2-(prop-2-enylamino)ethanone
CID 82102300
prop-2-enyl 3-aminobenzoate;hydrochloride
CID 18930598
[2-(4-fluorophenyl)-2-oxoethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 7706150
4-prop-2-enoxycarbonylbenzoic acid
CID 18349855
ethyl 3-(2,3-dihydro-1H-indene-5-carbonylamino)benzoate
CID 9228157
prop-2-enyl 3-(2-fluorocyclopenten-1-yl)benzoate
CID 69448726
[2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl] 2,3-dihydro-1H-indene-5-carboxylate
CID 9010637

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2,3-dihydro-1H-indene-5-carboxylate?
The IUPAC name of prop-2-enyl 2,3-dihydro-1H-indene-5-carboxylate (CID 58125258) is prop-2-enyl 2,3-dihydro-1H-indene-5-carboxylate.
What is the SMILES notation for prop-2-enyl 2,3-dihydro-1H-indene-5-carboxylate?
The canonical SMILES for prop-2-enyl 2,3-dihydro-1H-indene-5-carboxylate is C=CCOC(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of prop-2-enyl 2,3-dihydro-1H-indene-5-carboxylate?
The InChIKey is JACNAGXHWCBURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-2-8-15-13(14)12-7-6-10-4-3-5-11(10)9-12/h2,6-7,9H,1,3-5,8H2.
What are the key properties of prop-2-enyl 2,3-dihydro-1H-indene-5-carboxylate?
prop-2-enyl 2,3-dihydro-1H-indene-5-carboxylate has a molecular weight of 202.25 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2,3-dihydro-1H-indene-5-carboxylate is sourced from PubChem (CID 58125258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).