N-[(2E,7Z)-4-methoxy-5-methyl-6-methylidenenona-2,7-dienyl]-N-methylformamide

C14H23NO2 — CID 126583267

IUPACN-[(2E,7Z)-4-methoxy-5-methyl-6-methylidenenona-2,7-dienyl]-N-methylformamide
SMILESC=C(/C=C\C)C(C)C(/C=C/CN(C)C=O)OC
InChIInChI=1S/C14H23NO2/c1-6-8-12(2)13(3)14(17-5)9-7-10-15(4)11-16/h6-9,11,13-14H,2,10H2,1,3-5H3/b8-6-,9-7+
InChIKeyNILBOCNPHGUTOD-MKKAVFGOSA-N
MW237.34 g/mol
LogP2.41
Rot. Bonds8

About N-[(2E,7Z)-4-methoxy-5-methyl-6-methylidenenona-2,7-dienyl]-N-methylformamide

N-[(2E,7Z)-4-methoxy-5-methyl-6-methylidenenona-2,7-dienyl]-N-methylformamide (PubChem CID 126583267) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-[(2E,7Z)-4-methoxy-5-methyl-6-methylidenenona-2,7-dienyl]-N-methylformamide.

Molecular Properties

Compound NameN-[(2E,7Z)-4-methoxy-5-methyl-6-methylidenenona-2,7-dienyl]-N-methylformamide
PubChem CID126583267
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-[(2E,7Z)-4-methoxy-5-methyl-6-methylidenenona-2,7-dienyl]-N-methylformamide
SMILESC=C(/C=C\C)C(C)C(/C=C/CN(C)C=O)OC
InChIInChI=1S/C14H23NO2/c1-6-8-12(2)13(3)14(17-5)9-7-10-15(4)11-16/h6-9,11,13-14H,2,10H2,1,3-5H3/b8-6-,9-7+
InChIKeyNILBOCNPHGUTOD-MKKAVFGOSA-N
XLogP2.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2E,7Z)-4-methoxy-5-methyl-6-methylidenenona-2,7-dienyl]-N-methylformamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2E,7Z)-4-methoxy-5-methyl-6-methylidenenona-2,7-dienyl]-N-methylformamide?
The IUPAC name of N-[(2E,7Z)-4-methoxy-5-methyl-6-methylidenenona-2,7-dienyl]-N-methylformamide (CID 126583267) is N-[(2E,7Z)-4-methoxy-5-methyl-6-methylidenenona-2,7-dienyl]-N-methylformamide.
What is the SMILES notation for N-[(2E,7Z)-4-methoxy-5-methyl-6-methylidenenona-2,7-dienyl]-N-methylformamide?
The canonical SMILES for N-[(2E,7Z)-4-methoxy-5-methyl-6-methylidenenona-2,7-dienyl]-N-methylformamide is C=C(/C=C\C)C(C)C(/C=C/CN(C)C=O)OC.
What is the InChIKey of N-[(2E,7Z)-4-methoxy-5-methyl-6-methylidenenona-2,7-dienyl]-N-methylformamide?
The InChIKey is NILBOCNPHGUTOD-MKKAVFGOSA-N. The full InChI is InChI=1S/C14H23NO2/c1-6-8-12(2)13(3)14(17-5)9-7-10-15(4)11-16/h6-9,11,13-14H,2,10H2,1,3-5H3/b8-6-,9-7+.
What are the key properties of N-[(2E,7Z)-4-methoxy-5-methyl-6-methylidenenona-2,7-dienyl]-N-methylformamide?
N-[(2E,7Z)-4-methoxy-5-methyl-6-methylidenenona-2,7-dienyl]-N-methylformamide has a molecular weight of 237.34 g/mol, XLogP of 2.41, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,7Z)-4-methoxy-5-methyl-6-methylidenenona-2,7-dienyl]-N-methylformamide is sourced from PubChem (CID 126583267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).