2-(1H-inden-1-yl)hex-2-enoic acid

C15H16O2 — CID 150371655

IUPAC2-(1H-inden-1-yl)hex-2-enoic acid
SMILESCCCC=C(C(=O)O)C1C=Cc2ccccc21
InChIInChI=1S/C15H16O2/c1-2-3-7-14(15(16)17)13-10-9-11-6-4-5-8-12(11)13/h4-10,13H,2-3H2,1H3,(H,16,17)
InChIKeyGXVXSXZUWOZYFB-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.61
Rot. Bonds4

About 2-(1H-inden-1-yl)hex-2-enoic acid

2-(1H-inden-1-yl)hex-2-enoic acid (PubChem CID 150371655) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-(1H-inden-1-yl)hex-2-enoic acid.

Molecular Properties

Compound Name2-(1H-inden-1-yl)hex-2-enoic acid
PubChem CID150371655
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name2-(1H-inden-1-yl)hex-2-enoic acid
SMILESCCCC=C(C(=O)O)C1C=Cc2ccccc21
InChIInChI=1S/C15H16O2/c1-2-3-7-14(15(16)17)13-10-9-11-6-4-5-8-12(11)13/h4-10,13H,2-3H2,1H3,(H,16,17)
InChIKeyGXVXSXZUWOZYFB-UHFFFAOYSA-N
XLogP3.61
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[1-(1H-inden-1-yl)dec-1-enyl]-1H-indene
CID 151420770
acetic acid;ethyl 1H-indene-1-carboxylate
CID 174482190
2,3,3-tris(1H-inden-1-yl)prop-2-enoic acid
CID 151679276
1H-indene-1-carboxylic acid;2,2,2-trifluoroacetic acid
CID 158788540
1-prop-1-en-2-yl-1H-indene
CID 12058678
3-(1H-inden-1-yl)-2-methylprop-2-enoic acid
CID 67527584
2-(1H-inden-1-ylsulfonyl)acetic acid
CID 88639487
lithium;hydride;triethyl(1H-inden-1-yl)silane
CID 173341562
(2S)-2-[[(1S)-1H-inden-1-yl]amino]butanoic acid
CID 40800949
1H-inden-1-yl hexanoate
CID 19688742
hydron;1H-inden-1-ol
CID 174812636
2-[[(1R)-1H-inden-1-yl]amino]acetic acid
CID 40800894

Frequently Asked Questions

What is the IUPAC name of 2-(1H-inden-1-yl)hex-2-enoic acid?
The IUPAC name of 2-(1H-inden-1-yl)hex-2-enoic acid (CID 150371655) is 2-(1H-inden-1-yl)hex-2-enoic acid.
What is the SMILES notation for 2-(1H-inden-1-yl)hex-2-enoic acid?
The canonical SMILES for 2-(1H-inden-1-yl)hex-2-enoic acid is CCCC=C(C(=O)O)C1C=Cc2ccccc21.
What is the InChIKey of 2-(1H-inden-1-yl)hex-2-enoic acid?
The InChIKey is GXVXSXZUWOZYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-2-3-7-14(15(16)17)13-10-9-11-6-4-5-8-12(11)13/h4-10,13H,2-3H2,1H3,(H,16,17).
What are the key properties of 2-(1H-inden-1-yl)hex-2-enoic acid?
2-(1H-inden-1-yl)hex-2-enoic acid has a molecular weight of 228.29 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-inden-1-yl)hex-2-enoic acid is sourced from PubChem (CID 150371655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).