(Z)-4-methyl-5-[(Z)-2-methylidene-5-methyliminohex-3-enyl]iminohex-3-en-2-one

C15H22N2O — CID 91131947

IUPAC(Z)-4-methyl-5-[(Z)-2-methylidene-5-methyliminohex-3-enyl]iminohex-3-en-2-one
SMILESC=C(/C=C\C(C)=N\C)C/N=C(C)/C(C)=C\C(C)=O
InChIInChI=1S/C15H22N2O/c1-11(7-8-13(3)16-6)10-17-15(5)12(2)9-14(4)18/h7-9H,1,10H2,2-6H3/b8-7-,12-9-,16-13+,17-15+
InChIKeyYOEQQLCXXXKEOY-ROMNTMKZSA-N
MW246.35 g/mol
LogP3.19
Rot. Bonds6

About (Z)-4-methyl-5-[(Z)-2-methylidene-5-methyliminohex-3-enyl]iminohex-3-en-2-one

(Z)-4-methyl-5-[(Z)-2-methylidene-5-methyliminohex-3-enyl]iminohex-3-en-2-one (PubChem CID 91131947) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (Z)-4-methyl-5-[(Z)-2-methylidene-5-methyliminohex-3-enyl]iminohex-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-methyl-5-[(Z)-2-methylidene-5-methyliminohex-3-enyl]iminohex-3-en-2-one
PubChem CID91131947
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(Z)-4-methyl-5-[(Z)-2-methylidene-5-methyliminohex-3-enyl]iminohex-3-en-2-one
SMILESC=C(/C=C\C(C)=N\C)C/N=C(C)/C(C)=C\C(C)=O
InChIInChI=1S/C15H22N2O/c1-11(7-8-13(3)16-6)10-17-15(5)12(2)9-14(4)18/h7-9H,1,10H2,2-6H3/b8-7-,12-9-,16-13+,17-15+
InChIKeyYOEQQLCXXXKEOY-ROMNTMKZSA-N
XLogP3.19
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3E,4Z,6Z)-6-(N-ethenyl-C-methylcarbonimidoyl)-3-ethylideneocta-4,6-dien-2-one
CID 118479685
(3E,5E,7E,9Z,11Z)-3-(C,N-dimethylcarbonimidoyl)-7-methyltrideca-3,5,7,9,11-pentaen-2-one;ethane
CID 143766587
[(3E,5E)-7-imino-5-methyl-2-oxoocta-3,5-dienylidene]-methylideneazanium
CID 164127414
3-Ethyl-6-methyliminocyclohexa-2,4-dien-1-one
CID 170117139
(3E)-3-(6-methyliminocyclohexa-2,4-dien-1-ylidene)pent-4-en-2-one
CID 170238056
Bis(4-ethyliminocyclohexa-1,5-dien-1-yl)methanone
CID 175455026
4-Methyl-6-methyliminocyclohexa-2,4-dien-1-one
CID 176970254
1-(3-buta-1,3-dienyl-2H-pyrrol-5-yl)ethanone
CID 57571667
(3Z,5E)-4-(butan-2-ylideneamino)-5-[(Z)-prop-1-enyl]octa-3,5,7-trien-2-one
CID 142238586
(3E,5E,7E,9Z,11Z)-3-(C,N-dimethylcarbonimidoyl)-7-methyltrideca-3,5,7,9,11-pentaen-2-one
CID 143766588
(3Z,5Z,7Z)-4-methyl-3-(methyliminomethyl)nona-3,5,7-trien-2-one
CID 144024584
(3Z,5Z)-6-methyl-5-[(propan-2-ylideneamino)methylidene]hepta-3,6-dien-2-one
CID 144169233

Frequently Asked Questions

What is the IUPAC name of (Z)-4-methyl-5-[(Z)-2-methylidene-5-methyliminohex-3-enyl]iminohex-3-en-2-one?
The IUPAC name of (Z)-4-methyl-5-[(Z)-2-methylidene-5-methyliminohex-3-enyl]iminohex-3-en-2-one (CID 91131947) is (Z)-4-methyl-5-[(Z)-2-methylidene-5-methyliminohex-3-enyl]iminohex-3-en-2-one.
What is the SMILES notation for (Z)-4-methyl-5-[(Z)-2-methylidene-5-methyliminohex-3-enyl]iminohex-3-en-2-one?
The canonical SMILES for (Z)-4-methyl-5-[(Z)-2-methylidene-5-methyliminohex-3-enyl]iminohex-3-en-2-one is C=C(/C=C\C(C)=N\C)C/N=C(C)/C(C)=C\C(C)=O.
What is the InChIKey of (Z)-4-methyl-5-[(Z)-2-methylidene-5-methyliminohex-3-enyl]iminohex-3-en-2-one?
The InChIKey is YOEQQLCXXXKEOY-ROMNTMKZSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(7-8-13(3)16-6)10-17-15(5)12(2)9-14(4)18/h7-9H,1,10H2,2-6H3/b8-7-,12-9-,16-13+,17-15+.
What are the key properties of (Z)-4-methyl-5-[(Z)-2-methylidene-5-methyliminohex-3-enyl]iminohex-3-en-2-one?
(Z)-4-methyl-5-[(Z)-2-methylidene-5-methyliminohex-3-enyl]iminohex-3-en-2-one has a molecular weight of 246.35 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methyl-5-[(Z)-2-methylidene-5-methyliminohex-3-enyl]iminohex-3-en-2-one is sourced from PubChem (CID 91131947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).