(1Z)-1-(1,3,3,5-tetramethylindol-2-ylidene)propan-2-one

C15H19NO — CID 5411283

IUPAC(1Z)-1-(1,3,3,5-tetramethylindol-2-ylidene)propan-2-one
SMILESCC(=O)/C=C1\N(C)c2ccc(C)cc2C1(C)C
InChIInChI=1S/C15H19NO/c1-10-6-7-13-12(8-10)15(3,4)14(16(13)5)9-11(2)17/h6-9H,1-5H3/b14-9-
InChIKeyFRBPMCJBOQULJX-ZROIWOOFSA-N
MW229.32 g/mol
LogP3.20
Rot. Bonds1

About (1Z)-1-(1,3,3,5-tetramethylindol-2-ylidene)propan-2-one

(1Z)-1-(1,3,3,5-tetramethylindol-2-ylidene)propan-2-one (PubChem CID 5411283) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is (1Z)-1-(1,3,3,5-tetramethylindol-2-ylidene)propan-2-one.

Molecular Properties

Compound Name(1Z)-1-(1,3,3,5-tetramethylindol-2-ylidene)propan-2-one
PubChem CID5411283
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name(1Z)-1-(1,3,3,5-tetramethylindol-2-ylidene)propan-2-one
SMILESCC(=O)/C=C1\N(C)c2ccc(C)cc2C1(C)C
InChIInChI=1S/C15H19NO/c1-10-6-7-13-12(8-10)15(3,4)14(16(13)5)9-11(2)17/h6-9H,1-5H3/b14-9-
InChIKeyFRBPMCJBOQULJX-ZROIWOOFSA-N
XLogP3.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(Formylmethylene)-1,3,3-trimethylindoline
CID 1712851
1,3,3-Trimethyl-2-methyleneindoline
CID 8351
1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene acetaldehyde
CID 6789
(2E)-1-cyclopropyl-2-(1,3,3-trimethylindol-2-ylidene)ethanone
CID 2330527
3-(2-Methyl-2,3-dihydroindol-1-yl)cyclohex-2-en-1-one
CID 4604925
ethyl (2E)-2-(1,3,3-trimethylindol-2-ylidene)acetate
CID 2309433
Spiro(cyclopentane-1,3'-indoline), 1'-acetyl-
CID 3039209
1-(3,3,5-Trimethylindolin-1-yl)ethan-1-one
CID 18684894
1-(2,3,3-Trimethylindolin-1-yl)ethanone
CID 90643765
1,2,3,3-Tetramethylindoline
CID 594839
1-Ethyl-3,3-dimethyl-2-methylidene-2,3-dihydro-1H-indole
CID 12524872
1-(2,4-dimethylphenyl)-2,6-dimethylpyridin-4(1H)-one
CID 737578

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-(1,3,3,5-tetramethylindol-2-ylidene)propan-2-one?
The IUPAC name of (1Z)-1-(1,3,3,5-tetramethylindol-2-ylidene)propan-2-one (CID 5411283) is (1Z)-1-(1,3,3,5-tetramethylindol-2-ylidene)propan-2-one.
What is the SMILES notation for (1Z)-1-(1,3,3,5-tetramethylindol-2-ylidene)propan-2-one?
The canonical SMILES for (1Z)-1-(1,3,3,5-tetramethylindol-2-ylidene)propan-2-one is CC(=O)/C=C1\N(C)c2ccc(C)cc2C1(C)C.
What is the InChIKey of (1Z)-1-(1,3,3,5-tetramethylindol-2-ylidene)propan-2-one?
The InChIKey is FRBPMCJBOQULJX-ZROIWOOFSA-N. The full InChI is InChI=1S/C15H19NO/c1-10-6-7-13-12(8-10)15(3,4)14(16(13)5)9-11(2)17/h6-9H,1-5H3/b14-9-.
What are the key properties of (1Z)-1-(1,3,3,5-tetramethylindol-2-ylidene)propan-2-one?
(1Z)-1-(1,3,3,5-tetramethylindol-2-ylidene)propan-2-one has a molecular weight of 229.32 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(1,3,3,5-tetramethylindol-2-ylidene)propan-2-one is sourced from PubChem (CID 5411283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).