N-[(2E,4Z,6E)-6-methoxyocta-2,4,6-trien-3-yl]formamide

C10H15NO2 — CID 143108236

IUPACN-[(2E,4Z,6E)-6-methoxyocta-2,4,6-trien-3-yl]formamide
SMILESC/C=C(\C=C/C(=C\C)OC)NC=O
InChIInChI=1S/C10H15NO2/c1-4-9(11-8-12)6-7-10(5-2)13-3/h4-8H,1-3H3,(H,11,12)/b7-6-,9-4+,10-5+
InChIKeyOGFUFXJCWVCUDJ-OYRNZXRRSA-N
MW181.23 g/mol
LogP1.74
Rot. Bonds5

About N-[(2E,4Z,6E)-6-methoxyocta-2,4,6-trien-3-yl]formamide

N-[(2E,4Z,6E)-6-methoxyocta-2,4,6-trien-3-yl]formamide (PubChem CID 143108236) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is N-[(2E,4Z,6E)-6-methoxyocta-2,4,6-trien-3-yl]formamide.

Molecular Properties

Compound NameN-[(2E,4Z,6E)-6-methoxyocta-2,4,6-trien-3-yl]formamide
PubChem CID143108236
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC NameN-[(2E,4Z,6E)-6-methoxyocta-2,4,6-trien-3-yl]formamide
SMILESC/C=C(\C=C/C(=C\C)OC)NC=O
InChIInChI=1S/C10H15NO2/c1-4-9(11-8-12)6-7-10(5-2)13-3/h4-8H,1-3H3,(H,11,12)/b7-6-,9-4+,10-5+
InChIKeyOGFUFXJCWVCUDJ-OYRNZXRRSA-N
XLogP1.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[(2E,4Z,6E)-6-methoxyocta-2,4,6-trien-3-yl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2E,4E,6E)-7-fluoro-5-prop-1-en-2-yloxyhepta-2,4,6-trien-2-yl]formamide
CID 89474171
(3E,5E)-4-fluoro-5-methoxy-N-methylhepta-1,3,5-trien-2-amine
CID 143206210
N-[(3Z)-4-(trifluoromethoxy)hexa-1,3,5-trien-3-yl]formamide
CID 142901820
N-[(3E,5E)-6-methoxyhepta-1,3,5-trien-3-yl]formamide
CID 88236317
N-[(3E,5Z)-7-methoxyhepta-1,3,5-trien-4-yl]formamide
CID 89215094
6-methoxy-N-methylcyclohepta-1,2,4,6-tetraen-1-amine
CID 89983569
N-[(2Z,4Z)-6-amino-4-methoxy-5-methylhexa-2,4-dien-2-yl]formamide
CID 126605000
(3Z)-5-methoxy-N-methylhexa-1,3,5-trien-2-amine
CID 132001281
(3E,5E)-5-methoxy-N-methylhepta-1,3,5-trien-3-amine
CID 141911539
ethane;N-[(2Z,4Z,6Z)-5-[(3Z,5Z)-3-hydroxyhepta-1,3,5-trien-4-yl]oxyocta-2,4,6-trien-4-yl]formamide
CID 141995618
ethane;[(3Z,5Z)-3-(methylamino)hepta-1,3,5-trien-4-yl] formate
CID 142245116
(3E)-4-methoxy-N-methylhexa-1,3,5-trien-2-amine
CID 142872840

Frequently Asked Questions

What is the IUPAC name of N-[(2E,4Z,6E)-6-methoxyocta-2,4,6-trien-3-yl]formamide?
The IUPAC name of N-[(2E,4Z,6E)-6-methoxyocta-2,4,6-trien-3-yl]formamide (CID 143108236) is N-[(2E,4Z,6E)-6-methoxyocta-2,4,6-trien-3-yl]formamide.
What is the SMILES notation for N-[(2E,4Z,6E)-6-methoxyocta-2,4,6-trien-3-yl]formamide?
The canonical SMILES for N-[(2E,4Z,6E)-6-methoxyocta-2,4,6-trien-3-yl]formamide is C/C=C(\C=C/C(=C\C)OC)NC=O.
What is the InChIKey of N-[(2E,4Z,6E)-6-methoxyocta-2,4,6-trien-3-yl]formamide?
The InChIKey is OGFUFXJCWVCUDJ-OYRNZXRRSA-N. The full InChI is InChI=1S/C10H15NO2/c1-4-9(11-8-12)6-7-10(5-2)13-3/h4-8H,1-3H3,(H,11,12)/b7-6-,9-4+,10-5+.
What are the key properties of N-[(2E,4Z,6E)-6-methoxyocta-2,4,6-trien-3-yl]formamide?
N-[(2E,4Z,6E)-6-methoxyocta-2,4,6-trien-3-yl]formamide has a molecular weight of 181.23 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z,6E)-6-methoxyocta-2,4,6-trien-3-yl]formamide is sourced from PubChem (CID 143108236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).