N-methyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]acetamide

C10H15NO — CID 143409642

IUPACN-methyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]acetamide
SMILESC=C/C=C(\C(=C)C)N(C)C(C)=O
InChIInChI=1S/C10H15NO/c1-6-7-10(8(2)3)11(5)9(4)12/h6-7H,1-2H2,3-5H3/b10-7+
InChIKeyISPYAIBKYNZCLA-JXMROGBWSA-N
MW165.24 g/mol
LogP2.11
Rot. Bonds3

About N-methyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]acetamide

N-methyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]acetamide (PubChem CID 143409642) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is N-methyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]acetamide
PubChem CID143409642
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC NameN-methyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]acetamide
SMILESC=C/C=C(\C(=C)C)N(C)C(C)=O
InChIInChI=1S/C10H15NO/c1-6-7-10(8(2)3)11(5)9(4)12/h6-7H,1-2H2,3-5H3/b10-7+
InChIKeyISPYAIBKYNZCLA-JXMROGBWSA-N
XLogP2.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.11
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

ethane;(3E)-2-methylhexa-1,3,5-trien-3-ol
CID 144511153
N-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)acetamide
CID 142965256
N-but-2-en-2-yl-N-methylacetamide
CID 123872311
N,N-dimethylprop-1-en-2-amine;propan-2-one;prop-1-ene
CID 162280666
(3Z,5E)-4-prop-1-en-2-ylhepta-1,3,5-triene
CID 142147647
N-acetyl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]acetamide
CID 144531341
(3E)-N,N,2-trimethylpenta-1,3-dien-3-amine
CID 135214583
2-methylprop-2-enoic acid;tris(prop-1-ene)
CID 160578185
(2E)-2-ethenyl-N,N-dimethylpenta-2,4-dienamide
CID 142465051
(3Z)-3-(1-fluoroethenyl)hexa-3,5-dien-2-one
CID 142839788
N,2-dimethyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]aniline
CID 144646652
N-acetyl-N-methylacetamide;ethane;methane
CID 158491582

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]acetamide?
The IUPAC name of N-methyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]acetamide (CID 143409642) is N-methyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]acetamide.
What is the SMILES notation for N-methyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]acetamide?
The canonical SMILES for N-methyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]acetamide is C=C/C=C(\C(=C)C)N(C)C(C)=O.
What is the InChIKey of N-methyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]acetamide?
The InChIKey is ISPYAIBKYNZCLA-JXMROGBWSA-N. The full InChI is InChI=1S/C10H15NO/c1-6-7-10(8(2)3)11(5)9(4)12/h6-7H,1-2H2,3-5H3/b10-7+.
What are the key properties of N-methyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]acetamide?
N-methyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]acetamide has a molecular weight of 165.24 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]acetamide is sourced from PubChem (CID 143409642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).