(E)-6-(1-methylindol-3-yl)hex-5-enoic acid

C15H17NO2 — CID 82293704

IUPAC(E)-6-(1-methylindol-3-yl)hex-5-enoic acid
SMILESCn1cc(/C=C/CCCC(=O)O)c2ccccc21
InChIInChI=1S/C15H17NO2/c1-16-11-12(7-3-2-4-10-15(17)18)13-8-5-6-9-14(13)16/h3,5-9,11H,2,4,10H2,1H3,(H,17,18)/b7-3+
InChIKeyQKGCQNRLIFUSSD-XVNBXDOJSA-N
MW243.31 g/mol
LogP3.45
Rot. Bonds5

About (E)-6-(1-methylindol-3-yl)hex-5-enoic acid

(E)-6-(1-methylindol-3-yl)hex-5-enoic acid (PubChem CID 82293704) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is (E)-6-(1-methylindol-3-yl)hex-5-enoic acid.

Molecular Properties

Compound Name(E)-6-(1-methylindol-3-yl)hex-5-enoic acid
PubChem CID82293704
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name(E)-6-(1-methylindol-3-yl)hex-5-enoic acid
SMILESCn1cc(/C=C/CCCC(=O)O)c2ccccc21
InChIInChI=1S/C15H17NO2/c1-16-11-12(7-3-2-4-10-15(17)18)13-8-5-6-9-14(13)16/h3,5-9,11H,2,4,10H2,1H3,(H,17,18)/b7-3+
InChIKeyQKGCQNRLIFUSSD-XVNBXDOJSA-N
XLogP3.45
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-(1-methylindol-3-yl)but-3-en-2-one
CID 736407
2-aminoacetic acid;1-methylindole-3-carbaldehyde
CID 23295599
ethane;(E)-4-(1-methylindol-3-yl)but-3-en-2-one
CID 144546894
6-[(5Z)-5-[(1-methylindol-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
CID 2011221
6-(1-methyl-2-pyridin-3-ylindol-3-yl)hex-5-enoic acid
CID 54337531
6-(1-methylindol-3-yl)heptanoic acid
CID 112512728
(Z)-7-(2-methylphenyl)hept-6-enoic acid
CID 175666421
3-[5-[(1-methylindol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoic acid
CID 4209177
1-[3-[(1E,6E)-7-(4-hydroxyphenyl)hepta-1,6-dienyl]indol-1-yl]ethanone
CID 141206197
1-[4-[(E)-2-(1-methylindol-3-yl)ethenyl]phenyl]propan-2-one
CID 89385692
4-[methyl-(1-methylindole-3-carbonyl)amino]butanoic acid
CID 43360106
(E)-4-(1-methylindol-3-yl)but-3-en-2-ol
CID 6852139

Frequently Asked Questions

What is the IUPAC name of (E)-6-(1-methylindol-3-yl)hex-5-enoic acid?
The IUPAC name of (E)-6-(1-methylindol-3-yl)hex-5-enoic acid (CID 82293704) is (E)-6-(1-methylindol-3-yl)hex-5-enoic acid.
What is the SMILES notation for (E)-6-(1-methylindol-3-yl)hex-5-enoic acid?
The canonical SMILES for (E)-6-(1-methylindol-3-yl)hex-5-enoic acid is Cn1cc(/C=C/CCCC(=O)O)c2ccccc21.
What is the InChIKey of (E)-6-(1-methylindol-3-yl)hex-5-enoic acid?
The InChIKey is QKGCQNRLIFUSSD-XVNBXDOJSA-N. The full InChI is InChI=1S/C15H17NO2/c1-16-11-12(7-3-2-4-10-15(17)18)13-8-5-6-9-14(13)16/h3,5-9,11H,2,4,10H2,1H3,(H,17,18)/b7-3+.
What are the key properties of (E)-6-(1-methylindol-3-yl)hex-5-enoic acid?
(E)-6-(1-methylindol-3-yl)hex-5-enoic acid has a molecular weight of 243.31 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-(1-methylindol-3-yl)hex-5-enoic acid is sourced from PubChem (CID 82293704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).