N-methyl-N-(6-methyl-5-methylidenehepta-1,3-dien-2-yl)but-2-enamide

C14H21NO — CID 123483515

IUPACN-methyl-N-(6-methyl-5-methylidenehepta-1,3-dien-2-yl)but-2-enamide
SMILESC=C(C=CC(=C)N(C)C(=O)C=CC)C(C)C
InChIInChI=1S/C14H21NO/c1-7-8-14(16)15(6)13(5)10-9-12(4)11(2)3/h7-11H,4-5H2,1-3,6H3
InChIKeyYUMLWRWSRVNEBX-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.30
Rot. Bonds5

About N-methyl-N-(6-methyl-5-methylidenehepta-1,3-dien-2-yl)but-2-enamide

N-methyl-N-(6-methyl-5-methylidenehepta-1,3-dien-2-yl)but-2-enamide (PubChem CID 123483515) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-methyl-N-(6-methyl-5-methylidenehepta-1,3-dien-2-yl)but-2-enamide.

Molecular Properties

Compound NameN-methyl-N-(6-methyl-5-methylidenehepta-1,3-dien-2-yl)but-2-enamide
PubChem CID123483515
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-methyl-N-(6-methyl-5-methylidenehepta-1,3-dien-2-yl)but-2-enamide
SMILESC=C(C=CC(=C)N(C)C(=O)C=CC)C(C)C
InChIInChI=1S/C14H21NO/c1-7-8-14(16)15(6)13(5)10-9-12(4)11(2)3/h7-11H,4-5H2,1-3,6H3
InChIKeyYUMLWRWSRVNEBX-UHFFFAOYSA-N
XLogP3.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.30
H-Bond Donors ≤ 50
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

1,5,6-Trimethyl-2-pyridone
CID 12735847
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CID 14340793
1-ethyl-4,6-dimethyl-2(1H)-pyridone
CID 21538594
(6E)-6-[(E)-2-fluoropent-2-enylidene]-5-methylidene-1-propylpyridin-2-one
CID 71032511
(Z)-N-[(3E)-5-fluoro-6-methylhepta-3,5-dien-3-yl]-N-methylpent-2-enamide
CID 143577542
1-Methyl-4-propan-2-yl-6-(trifluoromethyl)pyridin-2-one
CID 172173837
2(1H)-Pyridinone, 1,4,6-trimethyl-
CID 586244
1,2-Dimethyl-3(2H)-isoquinolinone
CID 86181879
1-methyl-6-[(E)-oct-4-en-4-yl]pyridin-2-one
CID 102590292
1-Methyl-2-oxo-5-methylenindenopyridine
CID 129799724
3-fluoro-1-[(2E,6E)-5-methyldeca-2,4,6-trien-2-yl]pyridin-2-one
CID 177235551
1-[(2E)-3,7-dimethylocta-2,6-dienyl]pyridin-2-one
CID 5791786

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(6-methyl-5-methylidenehepta-1,3-dien-2-yl)but-2-enamide?
The IUPAC name of N-methyl-N-(6-methyl-5-methylidenehepta-1,3-dien-2-yl)but-2-enamide (CID 123483515) is N-methyl-N-(6-methyl-5-methylidenehepta-1,3-dien-2-yl)but-2-enamide.
What is the SMILES notation for N-methyl-N-(6-methyl-5-methylidenehepta-1,3-dien-2-yl)but-2-enamide?
The canonical SMILES for N-methyl-N-(6-methyl-5-methylidenehepta-1,3-dien-2-yl)but-2-enamide is C=C(C=CC(=C)N(C)C(=O)C=CC)C(C)C.
What is the InChIKey of N-methyl-N-(6-methyl-5-methylidenehepta-1,3-dien-2-yl)but-2-enamide?
The InChIKey is YUMLWRWSRVNEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-7-8-14(16)15(6)13(5)10-9-12(4)11(2)3/h7-11H,4-5H2,1-3,6H3.
What are the key properties of N-methyl-N-(6-methyl-5-methylidenehepta-1,3-dien-2-yl)but-2-enamide?
N-methyl-N-(6-methyl-5-methylidenehepta-1,3-dien-2-yl)but-2-enamide has a molecular weight of 219.33 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(6-methyl-5-methylidenehepta-1,3-dien-2-yl)but-2-enamide is sourced from PubChem (CID 123483515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).