N-(2-ethylidene-1-azacyclohepta-3,5,6-trien-1-yl)ethanimine

C10H12N2 — CID 123968534

IUPACN-(2-ethylidene-1-azacyclohepta-3,5,6-trien-1-yl)ethanimine
SMILESCC=NN1C=C=CC=CC1=CC
InChIInChI=1S/C10H12N2/c1-3-10-8-6-5-7-9-12(10)11-4-2/h3-6,8-9H,1-2H3
InChIKeyRBXLHNFNQTVYKR-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.44
Rot. Bonds1

About N-(2-ethylidene-1-azacyclohepta-3,5,6-trien-1-yl)ethanimine

N-(2-ethylidene-1-azacyclohepta-3,5,6-trien-1-yl)ethanimine (PubChem CID 123968534) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is N-(2-ethylidene-1-azacyclohepta-3,5,6-trien-1-yl)ethanimine.

Molecular Properties

Compound NameN-(2-ethylidene-1-azacyclohepta-3,5,6-trien-1-yl)ethanimine
PubChem CID123968534
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC NameN-(2-ethylidene-1-azacyclohepta-3,5,6-trien-1-yl)ethanimine
SMILESCC=NN1C=C=CC=CC1=CC
InChIInChI=1S/C10H12N2/c1-3-10-8-6-5-7-9-12(10)11-4-2/h3-6,8-9H,1-2H3
InChIKeyRBXLHNFNQTVYKR-UHFFFAOYSA-N
XLogP2.44
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(2-ethylidene-1-azacyclohepta-3,5,6-trien-1-yl)ethanimine?
The IUPAC name of N-(2-ethylidene-1-azacyclohepta-3,5,6-trien-1-yl)ethanimine (CID 123968534) is N-(2-ethylidene-1-azacyclohepta-3,5,6-trien-1-yl)ethanimine.
What is the SMILES notation for N-(2-ethylidene-1-azacyclohepta-3,5,6-trien-1-yl)ethanimine?
The canonical SMILES for N-(2-ethylidene-1-azacyclohepta-3,5,6-trien-1-yl)ethanimine is CC=NN1C=C=CC=CC1=CC.
What is the InChIKey of N-(2-ethylidene-1-azacyclohepta-3,5,6-trien-1-yl)ethanimine?
The InChIKey is RBXLHNFNQTVYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-3-10-8-6-5-7-9-12(10)11-4-2/h3-6,8-9H,1-2H3.
What are the key properties of N-(2-ethylidene-1-azacyclohepta-3,5,6-trien-1-yl)ethanimine?
N-(2-ethylidene-1-azacyclohepta-3,5,6-trien-1-yl)ethanimine has a molecular weight of 160.22 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylidene-1-azacyclohepta-3,5,6-trien-1-yl)ethanimine is sourced from PubChem (CID 123968534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).