N-[(1E)-buta-1,3-dienyl]-2,2-dimethylpropanamide

C9H15NO — CID 15836326

IUPACN-[(1E)-buta-1,3-dienyl]-2,2-dimethylpropanamide
SMILESC=C/C=C/NC(=O)C(C)(C)C
InChIInChI=1S/C9H15NO/c1-5-6-7-10-8(11)9(2,3)4/h5-7H,1H2,2-4H3,(H,10,11)/b7-6+
InChIKeyIFLQIDAVWCPGAL-VOTSOKGWSA-N
MW153.22 g/mol
LogP1.85
Rot. Bonds2

About N-[(1E)-buta-1,3-dienyl]-2,2-dimethylpropanamide

N-[(1E)-buta-1,3-dienyl]-2,2-dimethylpropanamide (PubChem CID 15836326) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is N-[(1E)-buta-1,3-dienyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(1E)-buta-1,3-dienyl]-2,2-dimethylpropanamide
PubChem CID15836326
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC NameN-[(1E)-buta-1,3-dienyl]-2,2-dimethylpropanamide
SMILESC=C/C=C/NC(=O)C(C)(C)C
InChIInChI=1S/C9H15NO/c1-5-6-7-10-8(11)9(2,3)4/h5-7H,1H2,2-4H3,(H,10,11)/b7-6+
InChIKeyIFLQIDAVWCPGAL-VOTSOKGWSA-N
XLogP1.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1E)-buta-1,3-dienyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(1E)-buta-1,3-dienyl]-2,2-dimethylpropanamide (CID 15836326) is N-[(1E)-buta-1,3-dienyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(1E)-buta-1,3-dienyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(1E)-buta-1,3-dienyl]-2,2-dimethylpropanamide is C=C/C=C/NC(=O)C(C)(C)C.
What is the InChIKey of N-[(1E)-buta-1,3-dienyl]-2,2-dimethylpropanamide?
The InChIKey is IFLQIDAVWCPGAL-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H15NO/c1-5-6-7-10-8(11)9(2,3)4/h5-7H,1H2,2-4H3,(H,10,11)/b7-6+.
What are the key properties of N-[(1E)-buta-1,3-dienyl]-2,2-dimethylpropanamide?
N-[(1E)-buta-1,3-dienyl]-2,2-dimethylpropanamide has a molecular weight of 153.22 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E)-buta-1,3-dienyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 15836326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).