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

C13H16O2 — CID 150441183

IUPAC2,3,3a,4-tetrahydro-1H-inden-1-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCC2CC=CC=C21
InChIInChI=1S/C13H16O2/c1-9(2)13(14)15-12-8-7-10-5-3-4-6-11(10)12/h3-4,6,10,12H,1,5,7-8H2,2H3
InChIKeyHLUOBNNSXVJZJE-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.77
Rot. Bonds2

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

2,3,3a,4-tetrahydro-1H-inden-1-yl 2-methylprop-2-enoate (PubChem CID 150441183) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2,3,3a,4-tetrahydro-1H-inden-1-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2,3,3a,4-tetrahydro-1H-inden-1-yl 2-methylprop-2-enoate
PubChem CID150441183
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name2,3,3a,4-tetrahydro-1H-inden-1-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCC2CC=CC=C21
InChIInChI=1S/C13H16O2/c1-9(2)13(14)15-12-8-7-10-5-3-4-6-11(10)12/h3-4,6,10,12H,1,5,7-8H2,2H3
InChIKeyHLUOBNNSXVJZJE-UHFFFAOYSA-N
XLogP2.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.77
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 prop-2-enoate
CID 150816342
5,6-dihydro-4H-cyclopenta[b]furan-6-yl 2-methylprop-2-enoate
CID 90261973
[(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] 2-methylprop-2-enoate
CID 118478440
2,3,3a,4-tetrahydro-1H-inden-1-yl(dimethyl)silane
CID 150074036
ethane;(2-oxooxolan-3-yl) 2-methylprop-2-enoate
CID 143365262
(2-propan-2-ylidenecyclopentyl) 2-methylprop-2-enoate
CID 90261948
2-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]cyclohexa-2,4-diene-1-carboxylic acid
CID 123422150
(1-hydroxy-2,5-dioxopyrrolidin-3-yl) 2-methylprop-2-enoate
CID 139300005
1-[2-(2,3,3a,4-tetrahydro-1H-inden-1-yl)ethyl]-2,3,3a,4-tetrahydro-1H-indene;dihydrochloride
CID 172863415
1,2,3,4,4a,5-hexahydronaphthalen-1-ol
CID 91026557
2-methyl-3,4,4a,5-tetrahydro-1H-isoquinolin-1-ol
CID 141374768
(3-methylcyclopent-2-en-1-yl) 2-methylprop-2-enoate
CID 90261977

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4-tetrahydro-1H-inden-1-yl 2-methylprop-2-enoate?
The IUPAC name of 2,3,3a,4-tetrahydro-1H-inden-1-yl 2-methylprop-2-enoate (CID 150441183) is 2,3,3a,4-tetrahydro-1H-inden-1-yl 2-methylprop-2-enoate.
What is the SMILES notation for 2,3,3a,4-tetrahydro-1H-inden-1-yl 2-methylprop-2-enoate?
The canonical SMILES for 2,3,3a,4-tetrahydro-1H-inden-1-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC1CCC2CC=CC=C21.
What is the InChIKey of 2,3,3a,4-tetrahydro-1H-inden-1-yl 2-methylprop-2-enoate?
The InChIKey is HLUOBNNSXVJZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-9(2)13(14)15-12-8-7-10-5-3-4-6-11(10)12/h3-4,6,10,12H,1,5,7-8H2,2H3.
What are the key properties of 2,3,3a,4-tetrahydro-1H-inden-1-yl 2-methylprop-2-enoate?
2,3,3a,4-tetrahydro-1H-inden-1-yl 2-methylprop-2-enoate has a molecular weight of 204.27 g/mol, XLogP of 2.77, 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 2-methylprop-2-enoate is sourced from PubChem (CID 150441183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).