N-(1-cyclohexa-1,3-dien-1-ylprop-1-enyl)methanimine

C10H13N — CID 142614968

IUPACN-(1-cyclohexa-1,3-dien-1-ylprop-1-enyl)methanimine
SMILESC=NC(=CC)C1=CC=CCC1
InChIInChI=1S/C10H13N/c1-3-10(11-2)9-7-5-4-6-8-9/h3-5,7H,2,6,8H2,1H3
InChIKeyZJSXMILMWJKNKX-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.87
Rot. Bonds2

About N-(1-cyclohexa-1,3-dien-1-ylprop-1-enyl)methanimine

N-(1-cyclohexa-1,3-dien-1-ylprop-1-enyl)methanimine (PubChem CID 142614968) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is N-(1-cyclohexa-1,3-dien-1-ylprop-1-enyl)methanimine.

Molecular Properties

Compound NameN-(1-cyclohexa-1,3-dien-1-ylprop-1-enyl)methanimine
PubChem CID142614968
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC NameN-(1-cyclohexa-1,3-dien-1-ylprop-1-enyl)methanimine
SMILESC=NC(=CC)C1=CC=CCC1
InChIInChI=1S/C10H13N/c1-3-10(11-2)9-7-5-4-6-8-9/h3-5,7H,2,6,8H2,1H3
InChIKeyZJSXMILMWJKNKX-UHFFFAOYSA-N
XLogP2.87
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.87
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-cyclohexa-1,3-dien-1-ylprop-1-enyl)methanimine?
The IUPAC name of N-(1-cyclohexa-1,3-dien-1-ylprop-1-enyl)methanimine (CID 142614968) is N-(1-cyclohexa-1,3-dien-1-ylprop-1-enyl)methanimine.
What is the SMILES notation for N-(1-cyclohexa-1,3-dien-1-ylprop-1-enyl)methanimine?
The canonical SMILES for N-(1-cyclohexa-1,3-dien-1-ylprop-1-enyl)methanimine is C=NC(=CC)C1=CC=CCC1.
What is the InChIKey of N-(1-cyclohexa-1,3-dien-1-ylprop-1-enyl)methanimine?
The InChIKey is ZJSXMILMWJKNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-3-10(11-2)9-7-5-4-6-8-9/h3-5,7H,2,6,8H2,1H3.
What are the key properties of N-(1-cyclohexa-1,3-dien-1-ylprop-1-enyl)methanimine?
N-(1-cyclohexa-1,3-dien-1-ylprop-1-enyl)methanimine has a molecular weight of 147.22 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexa-1,3-dien-1-ylprop-1-enyl)methanimine is sourced from PubChem (CID 142614968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).