(Z)-4-(2-ethenyl-3H-inden-1-yl)but-3-enoic acid

C15H14O2 — CID 135280670

IUPAC(Z)-4-(2-ethenyl-3H-inden-1-yl)but-3-enoic acid
SMILESC=CC1=C(/C=C\CC(=O)O)c2ccccc2C1
InChIInChI=1S/C15H14O2/c1-2-11-10-12-6-3-4-7-14(12)13(11)8-5-9-15(16)17/h2-8H,1,9-10H2,(H,16,17)/b8-5-
InChIKeyLAJSPBRNONVLNM-YVMONPNESA-N
MW226.27 g/mol
LogP3.21
Rot. Bonds4

About (Z)-4-(2-ethenyl-3H-inden-1-yl)but-3-enoic acid

(Z)-4-(2-ethenyl-3H-inden-1-yl)but-3-enoic acid (PubChem CID 135280670) has the molecular formula C15H14O2 and a molecular weight of 226.27 g/mol. Its IUPAC name is (Z)-4-(2-ethenyl-3H-inden-1-yl)but-3-enoic acid.

Molecular Properties

Compound Name(Z)-4-(2-ethenyl-3H-inden-1-yl)but-3-enoic acid
PubChem CID135280670
Molecular FormulaC15H14O2
Molecular Weight226.27 g/mol
Exact Mass226.10
IUPAC Name(Z)-4-(2-ethenyl-3H-inden-1-yl)but-3-enoic acid
SMILESC=CC1=C(/C=C\CC(=O)O)c2ccccc2C1
InChIInChI=1S/C15H14O2/c1-2-11-10-12-6-3-4-7-14(12)13(11)8-5-9-15(16)17/h2-8H,1,9-10H2,(H,16,17)/b8-5-
InChIKeyLAJSPBRNONVLNM-YVMONPNESA-N
XLogP3.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethenyl-3-[(Z)-prop-1-enyl]-1H-indene
CID 58975510
bis(9H-fluorene);bis(prop-2-enoic acid)
CID 175756220
9H-fluorene;bis(prop-2-enoic acid)
CID 159231151
2-ethenyl-3-ethyl-1H-indene
CID 142569795
9H-fluorene;propanoic acid
CID 67831567
2,3-bis(ethenyl)-1,4-dihydronaphthalene;methane
CID 142529129
2,3-bis(ethenyl)-1H-indene;ethane;9-methylcarbazole
CID 144597079
4-phenylbut-3-enoic acid;prop-2-enenitrile
CID 67360679
ethane;9H-fluorene;propanoic acid
CID 90836645
(E)-4-(2-pyridin-4-ylphenyl)but-3-enoic acid
CID 19926633
(E)-4-(2-aminophenyl)but-3-enoic acid
CID 50852404
4-[2-[(E)-2-carboxyethenyl]phenyl]but-3-enoic acid
CID 170484079

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(2-ethenyl-3H-inden-1-yl)but-3-enoic acid?
The IUPAC name of (Z)-4-(2-ethenyl-3H-inden-1-yl)but-3-enoic acid (CID 135280670) is (Z)-4-(2-ethenyl-3H-inden-1-yl)but-3-enoic acid.
What is the SMILES notation for (Z)-4-(2-ethenyl-3H-inden-1-yl)but-3-enoic acid?
The canonical SMILES for (Z)-4-(2-ethenyl-3H-inden-1-yl)but-3-enoic acid is C=CC1=C(/C=C\CC(=O)O)c2ccccc2C1.
What is the InChIKey of (Z)-4-(2-ethenyl-3H-inden-1-yl)but-3-enoic acid?
The InChIKey is LAJSPBRNONVLNM-YVMONPNESA-N. The full InChI is InChI=1S/C15H14O2/c1-2-11-10-12-6-3-4-7-14(12)13(11)8-5-9-15(16)17/h2-8H,1,9-10H2,(H,16,17)/b8-5-.
What are the key properties of (Z)-4-(2-ethenyl-3H-inden-1-yl)but-3-enoic acid?
(Z)-4-(2-ethenyl-3H-inden-1-yl)but-3-enoic acid has a molecular weight of 226.27 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(2-ethenyl-3H-inden-1-yl)but-3-enoic acid is sourced from PubChem (CID 135280670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).