(6Z)-4-hydroxy-6-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclohexa-2,4-dien-1-one

C19H19NO2 — CID 177433367

IUPAC(6Z)-4-hydroxy-6-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclohexa-2,4-dien-1-one
SMILESCN1/C(=C\C=C2\C=C(O)C=CC2=O)C(C)(C)c2ccccc21
InChIInChI=1S/C19H19NO2/c1-19(2)15-6-4-5-7-16(15)20(3)18(19)11-8-13-12-14(21)9-10-17(13)22/h4-12,21H,1-3H3/b13-8-,18-11-
InChIKeyBYSAZWICZOANEX-VNVCMORXSA-N
MW293.37 g/mol
LogP3.81
Rot. Bonds1

About (6Z)-4-hydroxy-6-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclohexa-2,4-dien-1-one

(6Z)-4-hydroxy-6-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclohexa-2,4-dien-1-one (PubChem CID 177433367) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (6Z)-4-hydroxy-6-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name(6Z)-4-hydroxy-6-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclohexa-2,4-dien-1-one
PubChem CID177433367
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name(6Z)-4-hydroxy-6-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclohexa-2,4-dien-1-one
SMILESCN1/C(=C\C=C2\C=C(O)C=CC2=O)C(C)(C)c2ccccc21
InChIInChI=1S/C19H19NO2/c1-19(2)15-6-4-5-7-16(15)20(3)18(19)11-8-13-12-14(21)9-10-17(13)22/h4-12,21H,1-3H3/b13-8-,18-11-
InChIKeyBYSAZWICZOANEX-VNVCMORXSA-N
XLogP3.81
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6Z)-4-nitro-6-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclohexa-2,4-dien-1-one
CID 15434353
(6E)-4-nitro-6-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclohexa-2,4-dien-1-one
CID 59427155
(2Z)-1,3,3-trimethyl-2-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]indole
CID 18806794
4-hydroxy-6-[2-(1,3,3-trimethyl-1H-indol-1-ium-2-ylidene)ethylidene]cyclohexa-2,4-dien-1-one
CID 102138335
1,2-diphenyl-4-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]pyrazolidine-3,5-dione
CID 58473494
(6E)-2-bromo-4-nitro-6-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclohexa-2,4-dien-1-one
CID 6536734
dimethyl-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]azanium
CID 18526952
(E,1E,5E)-1,5-bis(1,3,3-trimethylindol-2-ylidene)pent-3-en-2-one
CID 44669507
2,5-dimethyl-4-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]pyrazol-3-one
CID 54402595
3-[2-[3,3-dimethyl-1-[3-(trimethylazaniumyl)propyl]indol-2-ylidene]ethylidene]-4-oxocyclohexa-1,5-diene-1-carbonitrilium
CID 102050470
(2E,4E,6Z)-2-methyl-6-(1,3,3-trimethylindol-2-ylidene)hexa-2,4-dienal
CID 102091783
(2E,5Z)-2-(dimethylaminomethylidene)-5-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclopentan-1-one
CID 44669416

Frequently Asked Questions

What is the IUPAC name of (6Z)-4-hydroxy-6-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclohexa-2,4-dien-1-one?
The IUPAC name of (6Z)-4-hydroxy-6-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclohexa-2,4-dien-1-one (CID 177433367) is (6Z)-4-hydroxy-6-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclohexa-2,4-dien-1-one.
What is the SMILES notation for (6Z)-4-hydroxy-6-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclohexa-2,4-dien-1-one?
The canonical SMILES for (6Z)-4-hydroxy-6-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclohexa-2,4-dien-1-one is CN1/C(=C\C=C2\C=C(O)C=CC2=O)C(C)(C)c2ccccc21.
What is the InChIKey of (6Z)-4-hydroxy-6-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclohexa-2,4-dien-1-one?
The InChIKey is BYSAZWICZOANEX-VNVCMORXSA-N. The full InChI is InChI=1S/C19H19NO2/c1-19(2)15-6-4-5-7-16(15)20(3)18(19)11-8-13-12-14(21)9-10-17(13)22/h4-12,21H,1-3H3/b13-8-,18-11-.
What are the key properties of (6Z)-4-hydroxy-6-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclohexa-2,4-dien-1-one?
(6Z)-4-hydroxy-6-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclohexa-2,4-dien-1-one has a molecular weight of 293.37 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-4-hydroxy-6-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 177433367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).