2,3,3a,4-tetrahydro-1H-inden-1-yl prop-2-enoate

C12H14O2 — CID 150816342

IUPAC2,3,3a,4-tetrahydro-1H-inden-1-yl prop-2-enoate
SMILESC=CC(=O)OC1CCC2CC=CC=C21
InChIInChI=1S/C12H14O2/c1-2-12(13)14-11-8-7-9-5-3-4-6-10(9)11/h2-4,6,9,11H,1,5,7-8H2
InChIKeyKIYQPZVBHBYTMU-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.38
Rot. Bonds2

About 2,3,3a,4-tetrahydro-1H-inden-1-yl prop-2-enoate

2,3,3a,4-tetrahydro-1H-inden-1-yl prop-2-enoate (PubChem CID 150816342) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2,3,3a,4-tetrahydro-1H-inden-1-yl prop-2-enoate.

Molecular Properties

Compound Name2,3,3a,4-tetrahydro-1H-inden-1-yl prop-2-enoate
PubChem CID150816342
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name2,3,3a,4-tetrahydro-1H-inden-1-yl prop-2-enoate
SMILESC=CC(=O)OC1CCC2CC=CC=C21
InChIInChI=1S/C12H14O2/c1-2-12(13)14-11-8-7-9-5-3-4-6-10(9)11/h2-4,6,9,11H,1,5,7-8H2
InChIKeyKIYQPZVBHBYTMU-UHFFFAOYSA-N
XLogP2.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.38
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

2,3,3a,4-tetrahydro-1H-inden-1-yl 2-methylprop-2-enoate
CID 150441183
cyclododecyl prop-2-enoate;prop-2-enoic acid
CID 162264812
CID 159294157
CID 159294157
1,2,3,4,4a,5-hexahydronaphthalen-1-ol
CID 91026557
6-[4-(4-prop-2-enoyloxycyclohexyl)phenoxy]hexyl prop-2-enoate
CID 58185084
2,3,3a,4-tetrahydro-1H-inden-1-yl(dimethyl)silane
CID 150074036
(2,6-dioxooxan-3-yl) prop-2-enoate
CID 150861721
(2-cyclopentylidenecyclopentyl) prop-2-enoate
CID 139893986
1,2,3,4-tetrahydronaphthalen-1-yl prop-2-enoate
CID 21316429
tert-butyl 1-(hydroxymethyl)-3,4,4a,5-tetrahydro-1H-isoquinoline-2-carboxylate
CID 174797569
(2-cyclohexylidenecyclohexyl) prop-2-enoate
CID 139893991
1-hydroxy-3,4,4a,5-tetrahydro-2H-quinoline-2-carboxylic acid
CID 154430045

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4-tetrahydro-1H-inden-1-yl prop-2-enoate?
The IUPAC name of 2,3,3a,4-tetrahydro-1H-inden-1-yl prop-2-enoate (CID 150816342) is 2,3,3a,4-tetrahydro-1H-inden-1-yl prop-2-enoate.
What is the SMILES notation for 2,3,3a,4-tetrahydro-1H-inden-1-yl prop-2-enoate?
The canonical SMILES for 2,3,3a,4-tetrahydro-1H-inden-1-yl prop-2-enoate is C=CC(=O)OC1CCC2CC=CC=C21.
What is the InChIKey of 2,3,3a,4-tetrahydro-1H-inden-1-yl prop-2-enoate?
The InChIKey is KIYQPZVBHBYTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-2-12(13)14-11-8-7-9-5-3-4-6-10(9)11/h2-4,6,9,11H,1,5,7-8H2.
What are the key properties of 2,3,3a,4-tetrahydro-1H-inden-1-yl prop-2-enoate?
2,3,3a,4-tetrahydro-1H-inden-1-yl prop-2-enoate has a molecular weight of 190.24 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4-tetrahydro-1H-inden-1-yl prop-2-enoate is sourced from PubChem (CID 150816342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).