(E)-3-(2,3-dihydro-1H-inden-5-yl)hex-2-enoic acid

C15H18O2 — CID 82049014

IUPAC(E)-3-(2,3-dihydro-1H-inden-5-yl)hex-2-enoic acid
SMILESCCC/C(=C\C(=O)O)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H18O2/c1-2-4-12(10-15(16)17)14-8-7-11-5-3-6-13(11)9-14/h7-10H,2-6H2,1H3,(H,16,17)/b12-10+
InChIKeyUWILIUGTCMSLED-ZRDIBKRKSA-N
MW230.31 g/mol
LogP3.44
Rot. Bonds4

About (E)-3-(2,3-dihydro-1H-inden-5-yl)hex-2-enoic acid

(E)-3-(2,3-dihydro-1H-inden-5-yl)hex-2-enoic acid (PubChem CID 82049014) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is (E)-3-(2,3-dihydro-1H-inden-5-yl)hex-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(2,3-dihydro-1H-inden-5-yl)hex-2-enoic acid
PubChem CID82049014
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name(E)-3-(2,3-dihydro-1H-inden-5-yl)hex-2-enoic acid
SMILESCCC/C(=C\C(=O)O)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H18O2/c1-2-4-12(10-15(16)17)14-8-7-11-5-3-6-13(11)9-14/h7-10H,2-6H2,1H3,(H,16,17)/b12-10+
InChIKeyUWILIUGTCMSLED-ZRDIBKRKSA-N
XLogP3.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.44
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

(E)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)hept-2-enoic acid
CID 82049643
(E)-3-(4-aminophenyl)hex-2-enoic acid
CID 112721870
(E)-3-(4-propylphenyl)hex-2-enoic acid
CID 93185097
(E)-3-(3,4-dipropoxyphenyl)hex-2-enoic acid
CID 83957950
2,2-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one
CID 62679922
(E)-3-(4-ethoxy-3-methoxyphenyl)hex-2-enoic acid
CID 83958708
(E)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)but-2-enoic acid
CID 6199583
1-(2,3-dihydro-1H-inden-5-yl)-4-phenylbutane-1,4-dione
CID 90371119
1-(5,6,7,8-tetrahydronaphthalen-2-yl)nonan-1-one
CID 65449682
2-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)butanoic acid
CID 116922813
2-ethylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 82050708
2-(2,3-dihydro-1H-inden-5-yl)-N,N-diethyl-2-oxoacetamide
CID 82118310

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,3-dihydro-1H-inden-5-yl)hex-2-enoic acid?
The IUPAC name of (E)-3-(2,3-dihydro-1H-inden-5-yl)hex-2-enoic acid (CID 82049014) is (E)-3-(2,3-dihydro-1H-inden-5-yl)hex-2-enoic acid.
What is the SMILES notation for (E)-3-(2,3-dihydro-1H-inden-5-yl)hex-2-enoic acid?
The canonical SMILES for (E)-3-(2,3-dihydro-1H-inden-5-yl)hex-2-enoic acid is CCC/C(=C\C(=O)O)c1ccc2c(c1)CCC2.
What is the InChIKey of (E)-3-(2,3-dihydro-1H-inden-5-yl)hex-2-enoic acid?
The InChIKey is UWILIUGTCMSLED-ZRDIBKRKSA-N. The full InChI is InChI=1S/C15H18O2/c1-2-4-12(10-15(16)17)14-8-7-11-5-3-6-13(11)9-14/h7-10H,2-6H2,1H3,(H,16,17)/b12-10+.
What are the key properties of (E)-3-(2,3-dihydro-1H-inden-5-yl)hex-2-enoic acid?
(E)-3-(2,3-dihydro-1H-inden-5-yl)hex-2-enoic acid has a molecular weight of 230.31 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,3-dihydro-1H-inden-5-yl)hex-2-enoic acid is sourced from PubChem (CID 82049014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).