N-[(3E,5E)-6-methoxyocta-3,5,7-trien-3-yl]formamide

C10H15NO2 — CID 155071155

IUPACN-[(3E,5E)-6-methoxyocta-3,5,7-trien-3-yl]formamide
SMILESC=C/C(=C\C=C(/CC)NC=O)OC
InChIInChI=1S/C10H15NO2/c1-4-9(11-8-12)6-7-10(5-2)13-3/h5-8H,2,4H2,1,3H3,(H,11,12)/b9-6+,10-7+
InChIKeyPZMPIEKJIQYNBI-KZZDLZNXSA-N
MW181.23 g/mol
LogP1.74
Rot. Bonds6

About N-[(3E,5E)-6-methoxyocta-3,5,7-trien-3-yl]formamide

N-[(3E,5E)-6-methoxyocta-3,5,7-trien-3-yl]formamide (PubChem CID 155071155) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is N-[(3E,5E)-6-methoxyocta-3,5,7-trien-3-yl]formamide.

Molecular Properties

Compound NameN-[(3E,5E)-6-methoxyocta-3,5,7-trien-3-yl]formamide
PubChem CID155071155
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC NameN-[(3E,5E)-6-methoxyocta-3,5,7-trien-3-yl]formamide
SMILESC=C/C(=C\C=C(/CC)NC=O)OC
InChIInChI=1S/C10H15NO2/c1-4-9(11-8-12)6-7-10(5-2)13-3/h5-8H,2,4H2,1,3H3,(H,11,12)/b9-6+,10-7+
InChIKeyPZMPIEKJIQYNBI-KZZDLZNXSA-N
XLogP1.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3E,5E)-6-methoxyocta-3,5,7-trien-3-yl]formamide?
The IUPAC name of N-[(3E,5E)-6-methoxyocta-3,5,7-trien-3-yl]formamide (CID 155071155) is N-[(3E,5E)-6-methoxyocta-3,5,7-trien-3-yl]formamide.
What is the SMILES notation for N-[(3E,5E)-6-methoxyocta-3,5,7-trien-3-yl]formamide?
The canonical SMILES for N-[(3E,5E)-6-methoxyocta-3,5,7-trien-3-yl]formamide is C=C/C(=C\C=C(/CC)NC=O)OC.
What is the InChIKey of N-[(3E,5E)-6-methoxyocta-3,5,7-trien-3-yl]formamide?
The InChIKey is PZMPIEKJIQYNBI-KZZDLZNXSA-N. The full InChI is InChI=1S/C10H15NO2/c1-4-9(11-8-12)6-7-10(5-2)13-3/h5-8H,2,4H2,1,3H3,(H,11,12)/b9-6+,10-7+.
What are the key properties of N-[(3E,5E)-6-methoxyocta-3,5,7-trien-3-yl]formamide?
N-[(3E,5E)-6-methoxyocta-3,5,7-trien-3-yl]formamide has a molecular weight of 181.23 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,5E)-6-methoxyocta-3,5,7-trien-3-yl]formamide is sourced from PubChem (CID 155071155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).