N-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)acetamide

C9H13NO — CID 142965256

IUPACN-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)acetamide
SMILESC=CC(=C)C(=C)N(C)C(C)=O
InChIInChI=1S/C9H13NO/c1-6-7(2)8(3)10(5)9(4)11/h6H,1-3H2,4-5H3
InChIKeyHUGMTWVQSJTWLO-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.72
Rot. Bonds3

About N-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)acetamide

N-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)acetamide (PubChem CID 142965256) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is N-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)acetamide
PubChem CID142965256
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC NameN-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)acetamide
SMILESC=CC(=C)C(=C)N(C)C(C)=O
InChIInChI=1S/C9H13NO/c1-6-7(2)8(3)10(5)9(4)11/h6H,1-3H2,4-5H3
InChIKeyHUGMTWVQSJTWLO-UHFFFAOYSA-N
XLogP1.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 162329319
N,N-dimethylmethanamine;prop-2-enoic acid
CID 87439346
ethane;N-ethenyl-N-methylacetamide
CID 143223383
N,N-dimethylprop-1-en-2-amine;propan-2-one;prop-1-ene
CID 162280666
N,N-dimethylacetamide;N-methylprop-2-enamide
CID 174991436
but-3-en-2-one;hydrochloride
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tris(but-3-en-2-one);tungsten
CID 54606302

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)acetamide?
The IUPAC name of N-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)acetamide (CID 142965256) is N-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)acetamide.
What is the SMILES notation for N-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)acetamide?
The canonical SMILES for N-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)acetamide is C=CC(=C)C(=C)N(C)C(C)=O.
What is the InChIKey of N-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)acetamide?
The InChIKey is HUGMTWVQSJTWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-6-7(2)8(3)10(5)9(4)11/h6H,1-3H2,4-5H3.
What are the key properties of N-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)acetamide?
N-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)acetamide has a molecular weight of 151.21 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)acetamide is sourced from PubChem (CID 142965256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).