N-[1-(3-chloro-6-methylcyclohepta-1,3-dien-1-yl)ethenyl]methanimine

C11H14ClN — CID 137401020

IUPACN-[1-(3-chloro-6-methylcyclohepta-1,3-dien-1-yl)ethenyl]methanimine
SMILESC=NC(=C)C1=CC(Cl)=CCC(C)C1
InChIInChI=1S/C11H14ClN/c1-8-4-5-11(12)7-10(6-8)9(2)13-3/h5,7-8H,2-4,6H2,1H3
InChIKeyIZIQWEOVXHXJSV-UHFFFAOYSA-N
MW195.69 g/mol
LogP3.68
Rot. Bonds2

About N-[1-(3-chloro-6-methylcyclohepta-1,3-dien-1-yl)ethenyl]methanimine

N-[1-(3-chloro-6-methylcyclohepta-1,3-dien-1-yl)ethenyl]methanimine (PubChem CID 137401020) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is N-[1-(3-chloro-6-methylcyclohepta-1,3-dien-1-yl)ethenyl]methanimine.

Molecular Properties

Compound NameN-[1-(3-chloro-6-methylcyclohepta-1,3-dien-1-yl)ethenyl]methanimine
PubChem CID137401020
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC NameN-[1-(3-chloro-6-methylcyclohepta-1,3-dien-1-yl)ethenyl]methanimine
SMILESC=NC(=C)C1=CC(Cl)=CCC(C)C1
InChIInChI=1S/C11H14ClN/c1-8-4-5-11(12)7-10(6-8)9(2)13-3/h5,7-8H,2-4,6H2,1H3
InChIKeyIZIQWEOVXHXJSV-UHFFFAOYSA-N
XLogP3.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-6-methylcyclohepta-1,3-dien-1-yl)ethenyl]methanimine?
The IUPAC name of N-[1-(3-chloro-6-methylcyclohepta-1,3-dien-1-yl)ethenyl]methanimine (CID 137401020) is N-[1-(3-chloro-6-methylcyclohepta-1,3-dien-1-yl)ethenyl]methanimine.
What is the SMILES notation for N-[1-(3-chloro-6-methylcyclohepta-1,3-dien-1-yl)ethenyl]methanimine?
The canonical SMILES for N-[1-(3-chloro-6-methylcyclohepta-1,3-dien-1-yl)ethenyl]methanimine is C=NC(=C)C1=CC(Cl)=CCC(C)C1.
What is the InChIKey of N-[1-(3-chloro-6-methylcyclohepta-1,3-dien-1-yl)ethenyl]methanimine?
The InChIKey is IZIQWEOVXHXJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN/c1-8-4-5-11(12)7-10(6-8)9(2)13-3/h5,7-8H,2-4,6H2,1H3.
What are the key properties of N-[1-(3-chloro-6-methylcyclohepta-1,3-dien-1-yl)ethenyl]methanimine?
N-[1-(3-chloro-6-methylcyclohepta-1,3-dien-1-yl)ethenyl]methanimine has a molecular weight of 195.69 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-6-methylcyclohepta-1,3-dien-1-yl)ethenyl]methanimine is sourced from PubChem (CID 137401020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).