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

C14H15NO — CID 173092310

IUPACN-methoxy-1-[2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]methanimine
SMILESCON=Cc1ccccc1C1=C(C)C=CC1
InChIInChI=1S/C14H15NO/c1-11-6-5-9-13(11)14-8-4-3-7-12(14)10-15-16-2/h3-8,10H,9H2,1-2H3
InChIKeyHNYXZNUSQODSMK-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.40
Rot. Bonds3

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

N-methoxy-1-[2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]methanimine (PubChem CID 173092310) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is N-methoxy-1-[2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]methanimine.

Molecular Properties

Compound NameN-methoxy-1-[2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]methanimine
PubChem CID173092310
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC NameN-methoxy-1-[2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]methanimine
SMILESCON=Cc1ccccc1C1=C(C)C=CC1
InChIInChI=1S/C14H15NO/c1-11-6-5-9-13(11)14-8-4-3-7-12(14)10-15-16-2/h3-8,10H,9H2,1-2H3
InChIKeyHNYXZNUSQODSMK-UHFFFAOYSA-N
XLogP3.40
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.40
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-methylcyclopenta-1,3-dien-1-yl)phenyl]methanimine?
The IUPAC name of N-methoxy-1-[2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]methanimine (CID 173092310) is N-methoxy-1-[2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]methanimine.
What is the SMILES notation for N-methoxy-1-[2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]methanimine?
The canonical SMILES for N-methoxy-1-[2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]methanimine is CON=Cc1ccccc1C1=C(C)C=CC1.
What is the InChIKey of N-methoxy-1-[2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]methanimine?
The InChIKey is HNYXZNUSQODSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-11-6-5-9-13(11)14-8-4-3-7-12(14)10-15-16-2/h3-8,10H,9H2,1-2H3.
What are the key properties of N-methoxy-1-[2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]methanimine?
N-methoxy-1-[2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]methanimine has a molecular weight of 213.28 g/mol, XLogP of 3.40, 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-methylcyclopenta-1,3-dien-1-yl)phenyl]methanimine is sourced from PubChem (CID 173092310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).