(4Z)-2-methylhexa-2,4-diene;3-methylidene-5,6-dihydro-1H-indol-2-one

C16H21NO — CID 142935728

IUPAC(4Z)-2-methylhexa-2,4-diene;3-methylidene-5,6-dihydro-1H-indol-2-one
SMILESC/C=C\C=C(C)C.C=C1C(=O)NC2=CCCC=C12
InChIInChI=1S/C9H9NO.C7H12/c1-6-7-4-2-3-5-8(7)10-9(6)11;1-4-5-6-7(2)3/h4-5H,1-3H2,(H,10,11);4-6H,1-3H3/b;5-4-
InChIKeyNZOURAGDPOTKCH-GUHKXDMSSA-N
MW243.35 g/mol
LogP3.81
Rot. Bonds1

About (4Z)-2-methylhexa-2,4-diene;3-methylidene-5,6-dihydro-1H-indol-2-one

(4Z)-2-methylhexa-2,4-diene;3-methylidene-5,6-dihydro-1H-indol-2-one (PubChem CID 142935728) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is (4Z)-2-methylhexa-2,4-diene;3-methylidene-5,6-dihydro-1H-indol-2-one.

Molecular Properties

Compound Name(4Z)-2-methylhexa-2,4-diene;3-methylidene-5,6-dihydro-1H-indol-2-one
PubChem CID142935728
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name(4Z)-2-methylhexa-2,4-diene;3-methylidene-5,6-dihydro-1H-indol-2-one
SMILESC/C=C\C=C(C)C.C=C1C(=O)NC2=CCCC=C12
InChIInChI=1S/C9H9NO.C7H12/c1-6-7-4-2-3-5-8(7)10-9(6)11;1-4-5-6-7(2)3/h4-5H,1-3H2,(H,10,11);4-6H,1-3H3/b;5-4-
InChIKeyNZOURAGDPOTKCH-GUHKXDMSSA-N
XLogP3.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-[(2E,4Z)-7-methylocta-2,4,6-trien-2-yl]cyclohexa-1,3-diene
CID 143221921
(4E)-4-[(Z)-but-2-enylidene]-3,5-dimethylidenepyrrolidin-2-one
CID 155313173
2-methyldeca-2,4,6,8-tetraene
CID 123313204
2-methyltetradeca-2,4,6,8,10,12-hexaene
CID 72567686
ethane;(4Z)-2-methylhexa-2,4-diene;nitromethane
CID 142945468
(2S)-2-amino-2-[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]cyclohexan-1-one
CID 167081853
(4E)-2,7-dimethylocta-2,4,6-triene
CID 11116127
(4E,6E,8E,10E,12E,14E,16Z)-2,5,6,9,10,13,14-heptamethyloctadeca-2,4,6,8,10,12,14,16-octaene;sulfane
CID 159683667
ethane;2-methylbutane;(4E)-2-methylhexa-2,4-diene;2-methylpropane;prop-1-ene
CID 153392422
(2E,4Z)-1-(1,2-dihydropyridin-4-yl)-2-methylhexa-2,4-dien-1-one
CID 89258971
1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1,3-diazinane-2,4-dione
CID 171565223
2-[2-[(S)-[(3E,5Z)-3-methylhepta-3,5-dien-2-yl]sulfinyl]sulfanylpropan-2-yl]cyclohexa-1,3-diene
CID 144619543

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-methylhexa-2,4-diene;3-methylidene-5,6-dihydro-1H-indol-2-one?
The IUPAC name of (4Z)-2-methylhexa-2,4-diene;3-methylidene-5,6-dihydro-1H-indol-2-one (CID 142935728) is (4Z)-2-methylhexa-2,4-diene;3-methylidene-5,6-dihydro-1H-indol-2-one.
What is the SMILES notation for (4Z)-2-methylhexa-2,4-diene;3-methylidene-5,6-dihydro-1H-indol-2-one?
The canonical SMILES for (4Z)-2-methylhexa-2,4-diene;3-methylidene-5,6-dihydro-1H-indol-2-one is C/C=C\C=C(C)C.C=C1C(=O)NC2=CCCC=C12.
What is the InChIKey of (4Z)-2-methylhexa-2,4-diene;3-methylidene-5,6-dihydro-1H-indol-2-one?
The InChIKey is NZOURAGDPOTKCH-GUHKXDMSSA-N. The full InChI is InChI=1S/C9H9NO.C7H12/c1-6-7-4-2-3-5-8(7)10-9(6)11;1-4-5-6-7(2)3/h4-5H,1-3H2,(H,10,11);4-6H,1-3H3/b;5-4-.
What are the key properties of (4Z)-2-methylhexa-2,4-diene;3-methylidene-5,6-dihydro-1H-indol-2-one?
(4Z)-2-methylhexa-2,4-diene;3-methylidene-5,6-dihydro-1H-indol-2-one has a molecular weight of 243.35 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-methylhexa-2,4-diene;3-methylidene-5,6-dihydro-1H-indol-2-one is sourced from PubChem (CID 142935728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).