N'-ethenyl-N-methyl-N-[(4Z)-2-methyl-6-methylidene-7-oxoocta-1,4-dien-4-yl]ethanimidamide

C15H22N2O — CID 143343979

IUPACN'-ethenyl-N-methyl-N-[(4Z)-2-methyl-6-methylidene-7-oxoocta-1,4-dien-4-yl]ethanimidamide
SMILESC=C/N=C(\C)N(C)/C(=C\C(=C)C(C)=O)CC(=C)C
InChIInChI=1S/C15H22N2O/c1-8-16-14(6)17(7)15(9-11(2)3)10-12(4)13(5)18/h8,10H,1-2,4,9H2,3,5-7H3/b15-10-,16-14+
InChIKeyJVEQQMMYCCNKII-OPQFGGCESA-N
MW246.35 g/mol
LogP3.48
Rot. Bonds6

About N'-ethenyl-N-methyl-N-[(4Z)-2-methyl-6-methylidene-7-oxoocta-1,4-dien-4-yl]ethanimidamide

N'-ethenyl-N-methyl-N-[(4Z)-2-methyl-6-methylidene-7-oxoocta-1,4-dien-4-yl]ethanimidamide (PubChem CID 143343979) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N'-ethenyl-N-methyl-N-[(4Z)-2-methyl-6-methylidene-7-oxoocta-1,4-dien-4-yl]ethanimidamide.

Molecular Properties

Compound NameN'-ethenyl-N-methyl-N-[(4Z)-2-methyl-6-methylidene-7-oxoocta-1,4-dien-4-yl]ethanimidamide
PubChem CID143343979
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN'-ethenyl-N-methyl-N-[(4Z)-2-methyl-6-methylidene-7-oxoocta-1,4-dien-4-yl]ethanimidamide
SMILESC=C/N=C(\C)N(C)/C(=C\C(=C)C(C)=O)CC(=C)C
InChIInChI=1S/C15H22N2O/c1-8-16-14(6)17(7)15(9-11(2)3)10-12(4)13(5)18/h8,10H,1-2,4,9H2,3,5-7H3/b15-10-,16-14+
InChIKeyJVEQQMMYCCNKII-OPQFGGCESA-N
XLogP3.48
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-(2-piperidin-1-yl-3H-azepin-5-yl)ethanone
CID 13642142
1-[2-(diethylamino)-3H-azepin-5-yl]ethanone
CID 85568178
1-[2-(diethylamino)-3H-azepin-4-yl]ethanone
CID 134915401
1-[2-(diethylamino)-3H-azepin-6-yl]ethanone
CID 134989495
N'-[(3E,5Z)-3-acetyl-5-methylhepta-1,3,5-trien-4-yl]-N,N-dipropylethanimidamide;ethane
CID 141771412
1-[1-(C,N-dimethylcarbonimidoyl)-6-methylidene-3-pyridinyl]ethanone
CID 144718935
N'-[(3E,5Z)-3-acetyl-5-methylhepta-1,3,5-trien-4-yl]-N,N-dipropylethanimidamide
CID 141771413

Frequently Asked Questions

What is the IUPAC name of N'-ethenyl-N-methyl-N-[(4Z)-2-methyl-6-methylidene-7-oxoocta-1,4-dien-4-yl]ethanimidamide?
The IUPAC name of N'-ethenyl-N-methyl-N-[(4Z)-2-methyl-6-methylidene-7-oxoocta-1,4-dien-4-yl]ethanimidamide (CID 143343979) is N'-ethenyl-N-methyl-N-[(4Z)-2-methyl-6-methylidene-7-oxoocta-1,4-dien-4-yl]ethanimidamide.
What is the SMILES notation for N'-ethenyl-N-methyl-N-[(4Z)-2-methyl-6-methylidene-7-oxoocta-1,4-dien-4-yl]ethanimidamide?
The canonical SMILES for N'-ethenyl-N-methyl-N-[(4Z)-2-methyl-6-methylidene-7-oxoocta-1,4-dien-4-yl]ethanimidamide is C=C/N=C(\C)N(C)/C(=C\C(=C)C(C)=O)CC(=C)C.
What is the InChIKey of N'-ethenyl-N-methyl-N-[(4Z)-2-methyl-6-methylidene-7-oxoocta-1,4-dien-4-yl]ethanimidamide?
The InChIKey is JVEQQMMYCCNKII-OPQFGGCESA-N. The full InChI is InChI=1S/C15H22N2O/c1-8-16-14(6)17(7)15(9-11(2)3)10-12(4)13(5)18/h8,10H,1-2,4,9H2,3,5-7H3/b15-10-,16-14+.
What are the key properties of N'-ethenyl-N-methyl-N-[(4Z)-2-methyl-6-methylidene-7-oxoocta-1,4-dien-4-yl]ethanimidamide?
N'-ethenyl-N-methyl-N-[(4Z)-2-methyl-6-methylidene-7-oxoocta-1,4-dien-4-yl]ethanimidamide has a molecular weight of 246.35 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-N-methyl-N-[(4Z)-2-methyl-6-methylidene-7-oxoocta-1,4-dien-4-yl]ethanimidamide is sourced from PubChem (CID 143343979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).