N-[(2Z,4E)-1-(dimethylamino)hepta-2,4-dien-4-yl]acetamide

C11H20N2O — CID 129313291

IUPACN-[(2Z,4E)-1-(dimethylamino)hepta-2,4-dien-4-yl]acetamide
SMILESCC/C=C(\C=C/CN(C)C)NC(C)=O
InChIInChI=1S/C11H20N2O/c1-5-7-11(12-10(2)14)8-6-9-13(3)4/h6-8H,5,9H2,1-4H3,(H,12,14)/b8-6-,11-7+
InChIKeyGYEZYVBMAUPTEU-FAWHLJIPSA-N
MW196.29 g/mol
LogP1.53
Rot. Bonds5

About N-[(2Z,4E)-1-(dimethylamino)hepta-2,4-dien-4-yl]acetamide

N-[(2Z,4E)-1-(dimethylamino)hepta-2,4-dien-4-yl]acetamide (PubChem CID 129313291) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-[(2Z,4E)-1-(dimethylamino)hepta-2,4-dien-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2Z,4E)-1-(dimethylamino)hepta-2,4-dien-4-yl]acetamide
PubChem CID129313291
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-[(2Z,4E)-1-(dimethylamino)hepta-2,4-dien-4-yl]acetamide
SMILESCC/C=C(\C=C/CN(C)C)NC(C)=O
InChIInChI=1S/C11H20N2O/c1-5-7-11(12-10(2)14)8-6-9-13(3)4/h6-8H,5,9H2,1-4H3,(H,12,14)/b8-6-,11-7+
InChIKeyGYEZYVBMAUPTEU-FAWHLJIPSA-N
XLogP1.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(2Z,4E)-1-(dimethylamino)hepta-2,4-dien-4-yl]acetamide?
The IUPAC name of N-[(2Z,4E)-1-(dimethylamino)hepta-2,4-dien-4-yl]acetamide (CID 129313291) is N-[(2Z,4E)-1-(dimethylamino)hepta-2,4-dien-4-yl]acetamide.
What is the SMILES notation for N-[(2Z,4E)-1-(dimethylamino)hepta-2,4-dien-4-yl]acetamide?
The canonical SMILES for N-[(2Z,4E)-1-(dimethylamino)hepta-2,4-dien-4-yl]acetamide is CC/C=C(\C=C/CN(C)C)NC(C)=O.
What is the InChIKey of N-[(2Z,4E)-1-(dimethylamino)hepta-2,4-dien-4-yl]acetamide?
The InChIKey is GYEZYVBMAUPTEU-FAWHLJIPSA-N. The full InChI is InChI=1S/C11H20N2O/c1-5-7-11(12-10(2)14)8-6-9-13(3)4/h6-8H,5,9H2,1-4H3,(H,12,14)/b8-6-,11-7+.
What are the key properties of N-[(2Z,4E)-1-(dimethylamino)hepta-2,4-dien-4-yl]acetamide?
N-[(2Z,4E)-1-(dimethylamino)hepta-2,4-dien-4-yl]acetamide has a molecular weight of 196.29 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4E)-1-(dimethylamino)hepta-2,4-dien-4-yl]acetamide is sourced from PubChem (CID 129313291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).