2,2-dimethyl-N-penta-2,4-dien-2-ylpropanamide

C10H17NO — CID 123870902

IUPAC2,2-dimethyl-N-penta-2,4-dien-2-ylpropanamide
SMILESC=CC=C(C)NC(=O)C(C)(C)C
InChIInChI=1S/C10H17NO/c1-6-7-8(2)11-9(12)10(3,4)5/h6-7H,1H2,2-5H3,(H,11,12)
InChIKeyUDAFDSLBNRGPIJ-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.24
Rot. Bonds2

About 2,2-dimethyl-N-penta-2,4-dien-2-ylpropanamide

2,2-dimethyl-N-penta-2,4-dien-2-ylpropanamide (PubChem CID 123870902) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2,2-dimethyl-N-penta-2,4-dien-2-ylpropanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-penta-2,4-dien-2-ylpropanamide
PubChem CID123870902
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2,2-dimethyl-N-penta-2,4-dien-2-ylpropanamide
SMILESC=CC=C(C)NC(=O)C(C)(C)C
InChIInChI=1S/C10H17NO/c1-6-7-8(2)11-9(12)10(3,4)5/h6-7H,1H2,2-5H3,(H,11,12)
InChIKeyUDAFDSLBNRGPIJ-UHFFFAOYSA-N
XLogP2.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(1-cyclopenta-2,4-dien-1-ylideneethyl)-2,2-dimethylpropanamide
CID 67558352
N-[(2E,4Z)-1-fluorohepta-2,4,6-trien-2-yl]acetamide
CID 89418444
N-(2-fluorohexa-1,3,5-trien-3-yl)-2,2-dimethylpropanamide
CID 123529240
N-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]propanamide
CID 143108414
N-[(3E)-2-fluorohexa-1,3,5-trien-3-yl]propanamide
CID 144482461
N-cyclohexa-1,5-dien-1-yl-2,2-dimethylpropanamide
CID 20455832
N-cyclohexa-1,3-dien-1-yl-2,2-dimethylpropanamide
CID 23070366
N-[(4Z)-2-methylhexa-2,4-dien-3-yl]acetamide
CID 58012405
N-[(Z)-but-2-en-2-yl]-2-methylpropanamide
CID 59640696
N-[(Z)-but-2-en-2-yl]-2,2-dimethylpropanamide
CID 59765157
N-but-2-en-2-yl-2-methylpropanamide
CID 72345551
N-but-2-en-2-yl-2,2-dimethylpropanamide
CID 72555842

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-penta-2,4-dien-2-ylpropanamide?
The IUPAC name of 2,2-dimethyl-N-penta-2,4-dien-2-ylpropanamide (CID 123870902) is 2,2-dimethyl-N-penta-2,4-dien-2-ylpropanamide.
What is the SMILES notation for 2,2-dimethyl-N-penta-2,4-dien-2-ylpropanamide?
The canonical SMILES for 2,2-dimethyl-N-penta-2,4-dien-2-ylpropanamide is C=CC=C(C)NC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-penta-2,4-dien-2-ylpropanamide?
The InChIKey is UDAFDSLBNRGPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-6-7-8(2)11-9(12)10(3,4)5/h6-7H,1H2,2-5H3,(H,11,12).
What are the key properties of 2,2-dimethyl-N-penta-2,4-dien-2-ylpropanamide?
2,2-dimethyl-N-penta-2,4-dien-2-ylpropanamide has a molecular weight of 167.25 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-penta-2,4-dien-2-ylpropanamide is sourced from PubChem (CID 123870902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).