2-but-1-en-2-yl-5-methyl-4-methylidene-7-methyliminohepta-2,5-dienamide

C14H20N2O — CID 91029792

IUPAC2-but-1-en-2-yl-5-methyl-4-methylidene-7-methyliminohepta-2,5-dienamide
SMILESC=C(C=C(C(=C)CC)C(N)=O)C(C)=C/C=N/C
InChIInChI=1S/C14H20N2O/c1-6-10(2)13(14(15)17)9-12(4)11(3)7-8-16-5/h7-9H,2,4,6H2,1,3,5H3,(H2,15,17)/b11-7?,13-9?,16-8+
InChIKeyZNNIVAKYLHYVDH-UOOOLZFASA-N
MW232.33 g/mol
LogP2.57
Rot. Bonds6

About 2-but-1-en-2-yl-5-methyl-4-methylidene-7-methyliminohepta-2,5-dienamide

2-but-1-en-2-yl-5-methyl-4-methylidene-7-methyliminohepta-2,5-dienamide (PubChem CID 91029792) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-but-1-en-2-yl-5-methyl-4-methylidene-7-methyliminohepta-2,5-dienamide.

Molecular Properties

Compound Name2-but-1-en-2-yl-5-methyl-4-methylidene-7-methyliminohepta-2,5-dienamide
PubChem CID91029792
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-but-1-en-2-yl-5-methyl-4-methylidene-7-methyliminohepta-2,5-dienamide
SMILESC=C(C=C(C(=C)CC)C(N)=O)C(C)=C/C=N/C
InChIInChI=1S/C14H20N2O/c1-6-10(2)13(14(15)17)9-12(4)11(3)7-8-16-5/h7-9H,2,4,6H2,1,3,5H3,(H2,15,17)/b11-7?,13-9?,16-8+
InChIKeyZNNIVAKYLHYVDH-UOOOLZFASA-N
XLogP2.57
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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9H-3-benzazepine-8-carboxamide
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6H-1-benzazepine-7-carboxamide
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6-methyl-5H-isoquinolin-1-one
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(2E)-2-(C-ethyl-N-heptan-3-ylcarbonimidoyl)penta-2,4-dienamide
CID 91465047
(Z,2E)-2-ethylidene-5-methyliminopent-3-enamide
CID 118070568
1,8,10-Trimethyl-2,3,4,5-tetrahydroazecin-1-ium-7-carboxamide
CID 123150738
5-amino-6-methyl-5H-isoquinolin-1-one;ethane
CID 123220360
3-Butylpyrrol-2-one
CID 140993562

Frequently Asked Questions

What is the IUPAC name of 2-but-1-en-2-yl-5-methyl-4-methylidene-7-methyliminohepta-2,5-dienamide?
The IUPAC name of 2-but-1-en-2-yl-5-methyl-4-methylidene-7-methyliminohepta-2,5-dienamide (CID 91029792) is 2-but-1-en-2-yl-5-methyl-4-methylidene-7-methyliminohepta-2,5-dienamide.
What is the SMILES notation for 2-but-1-en-2-yl-5-methyl-4-methylidene-7-methyliminohepta-2,5-dienamide?
The canonical SMILES for 2-but-1-en-2-yl-5-methyl-4-methylidene-7-methyliminohepta-2,5-dienamide is C=C(C=C(C(=C)CC)C(N)=O)C(C)=C/C=N/C.
What is the InChIKey of 2-but-1-en-2-yl-5-methyl-4-methylidene-7-methyliminohepta-2,5-dienamide?
The InChIKey is ZNNIVAKYLHYVDH-UOOOLZFASA-N. The full InChI is InChI=1S/C14H20N2O/c1-6-10(2)13(14(15)17)9-12(4)11(3)7-8-16-5/h7-9H,2,4,6H2,1,3,5H3,(H2,15,17)/b11-7?,13-9?,16-8+.
What are the key properties of 2-but-1-en-2-yl-5-methyl-4-methylidene-7-methyliminohepta-2,5-dienamide?
2-but-1-en-2-yl-5-methyl-4-methylidene-7-methyliminohepta-2,5-dienamide has a molecular weight of 232.33 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-1-en-2-yl-5-methyl-4-methylidene-7-methyliminohepta-2,5-dienamide is sourced from PubChem (CID 91029792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).