6-(1-methylindol-6-yl)hex-5-ene-2,4-dione

C15H15NO2 — CID 123897183

IUPAC6-(1-methylindol-6-yl)hex-5-ene-2,4-dione
SMILESCC(=O)CC(=O)C=Cc1ccc2ccn(C)c2c1
InChIInChI=1S/C15H15NO2/c1-11(17)9-14(18)6-4-12-3-5-13-7-8-16(2)15(13)10-12/h3-8,10H,9H2,1-2H3
InChIKeyCSBRPKWLHVFSRX-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.74
Rot. Bonds4

About 6-(1-methylindol-6-yl)hex-5-ene-2,4-dione

6-(1-methylindol-6-yl)hex-5-ene-2,4-dione (PubChem CID 123897183) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 6-(1-methylindol-6-yl)hex-5-ene-2,4-dione.

Molecular Properties

Compound Name6-(1-methylindol-6-yl)hex-5-ene-2,4-dione
PubChem CID123897183
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name6-(1-methylindol-6-yl)hex-5-ene-2,4-dione
SMILESCC(=O)CC(=O)C=Cc1ccc2ccn(C)c2c1
InChIInChI=1S/C15H15NO2/c1-11(17)9-14(18)6-4-12-3-5-13-7-8-16(2)15(13)10-12/h3-8,10H,9H2,1-2H3
InChIKeyCSBRPKWLHVFSRX-UHFFFAOYSA-N
XLogP2.74
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[2-hydroxy-4-(pyridin-2-ylmethoxy)phenyl]-7-(1-methylindol-6-yl)hepta-1,6-diene-3,5-dione
CID 123650911
methyl (E)-3-(1-methylindol-5-yl)prop-2-enoate
CID 67563454
(2E)-2-[(1-methylindol-6-yl)methylidene]butanoic acid
CID 67290795
1,7-dinaphthalen-2-ylhepta-1,6-diene-3,5-dione
CID 86098447
6-(3-methoxy-3-oxoprop-1-enyl)indole-1-carboxylic acid
CID 74020644
2-(1-methylindol-6-yl)acetic acid
CID 77230193
2-[[2-methyl-3-(1-methylindol-6-yl)prop-2-enoyl]amino]benzoic acid
CID 175799674
2-[[(E)-2-methyl-3-(1-methylindol-6-yl)prop-2-enoyl]amino]benzoic acid
CID 146177777
(E)-6-(4-chloro-3-nitrophenyl)hex-5-ene-2,4-dione
CID 21416767
1-methylindole-6-carboxamide
CID 22245947
1,7-bis(3,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 53393977
(E)-6-(3,5-ditert-butyl-4-hydroxyphenyl)hex-5-ene-2,4-dione
CID 173345608

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylindol-6-yl)hex-5-ene-2,4-dione?
The IUPAC name of 6-(1-methylindol-6-yl)hex-5-ene-2,4-dione (CID 123897183) is 6-(1-methylindol-6-yl)hex-5-ene-2,4-dione.
What is the SMILES notation for 6-(1-methylindol-6-yl)hex-5-ene-2,4-dione?
The canonical SMILES for 6-(1-methylindol-6-yl)hex-5-ene-2,4-dione is CC(=O)CC(=O)C=Cc1ccc2ccn(C)c2c1.
What is the InChIKey of 6-(1-methylindol-6-yl)hex-5-ene-2,4-dione?
The InChIKey is CSBRPKWLHVFSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-11(17)9-14(18)6-4-12-3-5-13-7-8-16(2)15(13)10-12/h3-8,10H,9H2,1-2H3.
What are the key properties of 6-(1-methylindol-6-yl)hex-5-ene-2,4-dione?
6-(1-methylindol-6-yl)hex-5-ene-2,4-dione has a molecular weight of 241.29 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylindol-6-yl)hex-5-ene-2,4-dione is sourced from PubChem (CID 123897183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).