N-(6-ethenylcyclohexa-1,5-dien-1-yl)ethanimine

C10H13N — CID 152858957

IUPACN-(6-ethenylcyclohexa-1,5-dien-1-yl)ethanimine
SMILESC=CC1=CCCC=C1/N=C/C
InChIInChI=1S/C10H13N/c1-3-9-7-5-6-8-10(9)11-4-2/h3-4,7-8H,1,5-6H2,2H3/b11-4+
InChIKeyTXDGDZSKHMKWOC-NYYWCZLTSA-N
MW147.22 g/mol
LogP2.87
Rot. Bonds2

About N-(6-ethenylcyclohexa-1,5-dien-1-yl)ethanimine

N-(6-ethenylcyclohexa-1,5-dien-1-yl)ethanimine (PubChem CID 152858957) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is N-(6-ethenylcyclohexa-1,5-dien-1-yl)ethanimine.

Molecular Properties

Compound NameN-(6-ethenylcyclohexa-1,5-dien-1-yl)ethanimine
PubChem CID152858957
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC NameN-(6-ethenylcyclohexa-1,5-dien-1-yl)ethanimine
SMILESC=CC1=CCCC=C1/N=C/C
InChIInChI=1S/C10H13N/c1-3-9-7-5-6-8-10(9)11-4-2/h3-4,7-8H,1,5-6H2,2H3/b11-4+
InChIKeyTXDGDZSKHMKWOC-NYYWCZLTSA-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-(6-ethenylcyclohexa-1,5-dien-1-yl)ethanimine?
The IUPAC name of N-(6-ethenylcyclohexa-1,5-dien-1-yl)ethanimine (CID 152858957) is N-(6-ethenylcyclohexa-1,5-dien-1-yl)ethanimine.
What is the SMILES notation for N-(6-ethenylcyclohexa-1,5-dien-1-yl)ethanimine?
The canonical SMILES for N-(6-ethenylcyclohexa-1,5-dien-1-yl)ethanimine is C=CC1=CCCC=C1/N=C/C.
What is the InChIKey of N-(6-ethenylcyclohexa-1,5-dien-1-yl)ethanimine?
The InChIKey is TXDGDZSKHMKWOC-NYYWCZLTSA-N. The full InChI is InChI=1S/C10H13N/c1-3-9-7-5-6-8-10(9)11-4-2/h3-4,7-8H,1,5-6H2,2H3/b11-4+.
What are the key properties of N-(6-ethenylcyclohexa-1,5-dien-1-yl)ethanimine?
N-(6-ethenylcyclohexa-1,5-dien-1-yl)ethanimine 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-(6-ethenylcyclohexa-1,5-dien-1-yl)ethanimine is sourced from PubChem (CID 152858957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).