N-methoxy-1-[2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)phenyl]methanimine

C16H19NO — CID 173091972

IUPACN-methoxy-1-[2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)phenyl]methanimine
SMILESCON=Cc1ccccc1C1=C(C)C(C)=C(C)C1
InChIInChI=1S/C16H19NO/c1-11-9-16(13(3)12(11)2)15-8-6-5-7-14(15)10-17-18-4/h5-8,10H,9H2,1-4H3
InChIKeyINXKTNZDEACWFQ-UHFFFAOYSA-N
MW241.33 g/mol
LogP4.18
Rot. Bonds3

About N-methoxy-1-[2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)phenyl]methanimine

N-methoxy-1-[2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)phenyl]methanimine (PubChem CID 173091972) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is N-methoxy-1-[2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)phenyl]methanimine.

Molecular Properties

Compound NameN-methoxy-1-[2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)phenyl]methanimine
PubChem CID173091972
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC NameN-methoxy-1-[2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)phenyl]methanimine
SMILESCON=Cc1ccccc1C1=C(C)C(C)=C(C)C1
InChIInChI=1S/C16H19NO/c1-11-9-16(13(3)12(11)2)15-8-6-5-7-14(15)10-17-18-4/h5-8,10H,9H2,1-4H3
InChIKeyINXKTNZDEACWFQ-UHFFFAOYSA-N
XLogP4.18
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-[2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)phenyl]methanimine?
The IUPAC name of N-methoxy-1-[2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)phenyl]methanimine (CID 173091972) is N-methoxy-1-[2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)phenyl]methanimine.
What is the SMILES notation for N-methoxy-1-[2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)phenyl]methanimine?
The canonical SMILES for N-methoxy-1-[2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)phenyl]methanimine is CON=Cc1ccccc1C1=C(C)C(C)=C(C)C1.
What is the InChIKey of N-methoxy-1-[2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)phenyl]methanimine?
The InChIKey is INXKTNZDEACWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-11-9-16(13(3)12(11)2)15-8-6-5-7-14(15)10-17-18-4/h5-8,10H,9H2,1-4H3.
What are the key properties of N-methoxy-1-[2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)phenyl]methanimine?
N-methoxy-1-[2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)phenyl]methanimine has a molecular weight of 241.33 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-[2-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)phenyl]methanimine is sourced from PubChem (CID 173091972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).