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

C9H14N2O — CID 89013106

IUPACN-[(1E,3Z)-1-amino-5-methylhexa-1,3,5-trien-2-yl]acetamide
SMILESC=C(C)/C=C\C(=C/N)NC(C)=O
InChIInChI=1S/C9H14N2O/c1-7(2)4-5-9(6-10)11-8(3)12/h4-6H,1,10H2,2-3H3,(H,11,12)/b5-4-,9-6+
InChIKeyOLCHZIPYXQQIOY-KMOPYBJPSA-N
MW166.22 g/mol
LogP1.05
Rot. Bonds3

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

N-[(1E,3Z)-1-amino-5-methylhexa-1,3,5-trien-2-yl]acetamide (PubChem CID 89013106) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is N-[(1E,3Z)-1-amino-5-methylhexa-1,3,5-trien-2-yl]acetamide.

Molecular Properties

Compound NameN-[(1E,3Z)-1-amino-5-methylhexa-1,3,5-trien-2-yl]acetamide
PubChem CID89013106
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC NameN-[(1E,3Z)-1-amino-5-methylhexa-1,3,5-trien-2-yl]acetamide
SMILESC=C(C)/C=C\C(=C/N)NC(C)=O
InChIInChI=1S/C9H14N2O/c1-7(2)4-5-9(6-10)11-8(3)12/h4-6H,1,10H2,2-3H3,(H,11,12)/b5-4-,9-6+
InChIKeyOLCHZIPYXQQIOY-KMOPYBJPSA-N
XLogP1.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,9-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 123828527
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]acetamide
CID 129215041
ethane;N-[(2E,4Z)-hepta-2,4-dien-3-yl]acetamide
CID 143175455
(3Z)-5-methylhexa-1,3,5-trien-2-amine
CID 87058792
(5Z)-7-methyl-4-methylideneocta-5,7-dienoic acid
CID 144579461
(1Z,3Z)-2-ethyl-5-methylhexa-1,3,5-trien-1-amine
CID 89034156
N-[(2Z)-4-aminopenta-2,4-dien-2-yl]acetamide
CID 139357083
ethane;N-[(3E,5Z)-octa-3,5,7-trien-4-yl]acetamide
CID 144641334
(3Z)-5-methyl-2-methylidenehexa-3,5-dienoic acid
CID 142042516
N-[(3E)-2-aminohexa-1,3,5-trien-3-yl]acetamide;ethane
CID 143930163
ethane;N-[(2Z,4E)-hepta-2,4-dien-4-yl]acetamide
CID 143775186
tris(N-acetylacetamide);gallane
CID 175572719

Frequently Asked Questions

What is the IUPAC name of N-[(1E,3Z)-1-amino-5-methylhexa-1,3,5-trien-2-yl]acetamide?
The IUPAC name of N-[(1E,3Z)-1-amino-5-methylhexa-1,3,5-trien-2-yl]acetamide (CID 89013106) is N-[(1E,3Z)-1-amino-5-methylhexa-1,3,5-trien-2-yl]acetamide.
What is the SMILES notation for N-[(1E,3Z)-1-amino-5-methylhexa-1,3,5-trien-2-yl]acetamide?
The canonical SMILES for N-[(1E,3Z)-1-amino-5-methylhexa-1,3,5-trien-2-yl]acetamide is C=C(C)/C=C\C(=C/N)NC(C)=O.
What is the InChIKey of N-[(1E,3Z)-1-amino-5-methylhexa-1,3,5-trien-2-yl]acetamide?
The InChIKey is OLCHZIPYXQQIOY-KMOPYBJPSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7(2)4-5-9(6-10)11-8(3)12/h4-6H,1,10H2,2-3H3,(H,11,12)/b5-4-,9-6+.
What are the key properties of N-[(1E,3Z)-1-amino-5-methylhexa-1,3,5-trien-2-yl]acetamide?
N-[(1E,3Z)-1-amino-5-methylhexa-1,3,5-trien-2-yl]acetamide has a molecular weight of 166.22 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3Z)-1-amino-5-methylhexa-1,3,5-trien-2-yl]acetamide is sourced from PubChem (CID 89013106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).