3-(1,3-dimethylindol-2-yl)propa-1,2-dien-1-one

C13H11NO — CID 134893149

IUPAC3-(1,3-dimethylindol-2-yl)propa-1,2-dien-1-one
SMILESCc1c(C=C=C=O)n(C)c2ccccc12
InChIInChI=1S/C13H11NO/c1-10-11-6-3-4-7-13(11)14(2)12(10)8-5-9-15/h3-4,6-8H,1-2H3
InChIKeyFNFIPKMVVWVLBF-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.49
Rot. Bonds1

About 3-(1,3-dimethylindol-2-yl)propa-1,2-dien-1-one

3-(1,3-dimethylindol-2-yl)propa-1,2-dien-1-one (PubChem CID 134893149) has the molecular formula C13H11NO and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-(1,3-dimethylindol-2-yl)propa-1,2-dien-1-one.

Molecular Properties

Compound Name3-(1,3-dimethylindol-2-yl)propa-1,2-dien-1-one
PubChem CID134893149
Molecular FormulaC13H11NO
Molecular Weight197.24 g/mol
Exact Mass197.08
IUPAC Name3-(1,3-dimethylindol-2-yl)propa-1,2-dien-1-one
SMILESCc1c(C=C=C=O)n(C)c2ccccc12
InChIInChI=1S/C13H11NO/c1-10-11-6-3-4-7-13(11)14(2)12(10)8-5-9-15/h3-4,6-8H,1-2H3
InChIKeyFNFIPKMVVWVLBF-UHFFFAOYSA-N
XLogP2.49
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethyl-2-[(Z)-prop-1-enyl]indole;ethane
CID 144783393
2-(1,3-dimethylindol-2-yl)-1,3-dimethylindole
CID 12742686
3-chloro-1,4-dimethylquinolin-2-one
CID 15643026
ethane;1,2,3-trimethylindole
CID 91590745
[(E)-(1,3-dimethylindol-2-yl)methylideneamino]urea
CID 107236483
1-(1,3-dimethylindol-2-yl)-N-prop-1-en-2-ylmethanimine;ethane
CID 145463492
ethane;bis(9-methylcarbazole)
CID 159710949
2-deuteriocarbonyl-1-methylindole-3-carbaldehyde
CID 12584870
5,6,11,12-tetramethylindolo[3,2-b]carbazole
CID 134194403
ethane;9-methylcarbazole;triphenylene
CID 142356751
ethane;tris(ethane-1,1-diol);tris(1,2,3-trimethylindole)
CID 160660144
2-(methoxymethyl)-1,3-dimethylindole
CID 101050705

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethylindol-2-yl)propa-1,2-dien-1-one?
The IUPAC name of 3-(1,3-dimethylindol-2-yl)propa-1,2-dien-1-one (CID 134893149) is 3-(1,3-dimethylindol-2-yl)propa-1,2-dien-1-one.
What is the SMILES notation for 3-(1,3-dimethylindol-2-yl)propa-1,2-dien-1-one?
The canonical SMILES for 3-(1,3-dimethylindol-2-yl)propa-1,2-dien-1-one is Cc1c(C=C=C=O)n(C)c2ccccc12.
What is the InChIKey of 3-(1,3-dimethylindol-2-yl)propa-1,2-dien-1-one?
The InChIKey is FNFIPKMVVWVLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO/c1-10-11-6-3-4-7-13(11)14(2)12(10)8-5-9-15/h3-4,6-8H,1-2H3.
What are the key properties of 3-(1,3-dimethylindol-2-yl)propa-1,2-dien-1-one?
3-(1,3-dimethylindol-2-yl)propa-1,2-dien-1-one has a molecular weight of 197.24 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethylindol-2-yl)propa-1,2-dien-1-one is sourced from PubChem (CID 134893149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).