N-cyclopenta-1,2,4-trien-1-yl-1-pyridin-2-ylmethanimine

C11H8N2 — CID 177430449

IUPACN-cyclopenta-1,2,4-trien-1-yl-1-pyridin-2-ylmethanimine
SMILESC1=CC=CC=1/N=C/c1ccccn1
InChIInChI=1S/C11H8N2/c1-2-6-10(5-1)13-9-11-7-3-4-8-12-11/h1-5,7-9H/b13-9+
InChIKeyUYAFQSOFDKYPRA-UKTHLTGXSA-N
MW168.20 g/mol
LogP2.11
Rot. Bonds2

About N-cyclopenta-1,2,4-trien-1-yl-1-pyridin-2-ylmethanimine

N-cyclopenta-1,2,4-trien-1-yl-1-pyridin-2-ylmethanimine (PubChem CID 177430449) has the molecular formula C11H8N2 and a molecular weight of 168.20 g/mol. Its IUPAC name is N-cyclopenta-1,2,4-trien-1-yl-1-pyridin-2-ylmethanimine.

Molecular Properties

Compound NameN-cyclopenta-1,2,4-trien-1-yl-1-pyridin-2-ylmethanimine
PubChem CID177430449
Molecular FormulaC11H8N2
Molecular Weight168.20 g/mol
Exact Mass168.07
IUPAC NameN-cyclopenta-1,2,4-trien-1-yl-1-pyridin-2-ylmethanimine
SMILESC1=CC=CC=1/N=C/c1ccccn1
InChIInChI=1S/C11H8N2/c1-2-6-10(5-1)13-9-11-7-3-4-8-12-11/h1-5,7-9H/b13-9+
InChIKeyUYAFQSOFDKYPRA-UKTHLTGXSA-N
XLogP2.11
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-cyclopenta-1,2,4-trien-1-yl-1-pyridin-2-ylmethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-pyridin-2-ylethenyl)pyridine
CID 161029843
manganese(3+);1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)phenyl]methanimine;diisothiocyanate
CID 11826597
N-tert-butyl-1-pyridin-2-ylmethanimine
CID 11389570
dioxidanium;copper;2-(pyridin-2-ylmethylideneamino)phenolate;bromide
CID 139147508
bis(palladium(2+));1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)phenyl]methanimine;tetraacetate
CID 71620227
N,N-dimethyl-4-(pyridin-2-ylmethylideneamino)aniline
CID 20740795
1-pyridin-2-yl-N-quinolin-8-ylmethanimine
CID 15764078
N-[(2-methylpropan-2-yl)oxy]-1-pyridin-2-ylmethanimine
CID 141131461
copper(1+);bis(N-(2-methylsulfanylphenyl)-1-pyridin-2-ylmethanimine)
CID 140660307
N-[4-[3,4-bis(pyridin-2-ylmethylideneamino)phenoxy]-2-(pyridin-2-ylmethylideneamino)phenyl]-1-pyridin-2-ylmethanimine
CID 4616068
tetrakis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);zinc
CID 139116950
3,5-dimethyl-4-(pyridin-2-ylmethylideneamino)phenol
CID 139291560

Frequently Asked Questions

What is the IUPAC name of N-cyclopenta-1,2,4-trien-1-yl-1-pyridin-2-ylmethanimine?
The IUPAC name of N-cyclopenta-1,2,4-trien-1-yl-1-pyridin-2-ylmethanimine (CID 177430449) is N-cyclopenta-1,2,4-trien-1-yl-1-pyridin-2-ylmethanimine.
What is the SMILES notation for N-cyclopenta-1,2,4-trien-1-yl-1-pyridin-2-ylmethanimine?
The canonical SMILES for N-cyclopenta-1,2,4-trien-1-yl-1-pyridin-2-ylmethanimine is C1=CC=CC=1/N=C/c1ccccn1.
What is the InChIKey of N-cyclopenta-1,2,4-trien-1-yl-1-pyridin-2-ylmethanimine?
The InChIKey is UYAFQSOFDKYPRA-UKTHLTGXSA-N. The full InChI is InChI=1S/C11H8N2/c1-2-6-10(5-1)13-9-11-7-3-4-8-12-11/h1-5,7-9H/b13-9+.
What are the key properties of N-cyclopenta-1,2,4-trien-1-yl-1-pyridin-2-ylmethanimine?
N-cyclopenta-1,2,4-trien-1-yl-1-pyridin-2-ylmethanimine has a molecular weight of 168.20 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopenta-1,2,4-trien-1-yl-1-pyridin-2-ylmethanimine is sourced from PubChem (CID 177430449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).