N-cyclopenta-1,3-dien-1-yl-1-pyridin-4-ylmethanimine

C11H10N2 — CID 100916171

IUPACN-cyclopenta-1,3-dien-1-yl-1-pyridin-4-ylmethanimine
SMILESC1=CCC(/N=C/c2ccncc2)=C1
InChIInChI=1S/C11H10N2/c1-2-4-11(3-1)13-9-10-5-7-12-8-6-10/h1-3,5-9H,4H2/b13-9+
InChIKeyNPSTWLHGLRIZLB-UKTHLTGXSA-N
MW170.21 g/mol
LogP2.34
Rot. Bonds2

About N-cyclopenta-1,3-dien-1-yl-1-pyridin-4-ylmethanimine

N-cyclopenta-1,3-dien-1-yl-1-pyridin-4-ylmethanimine (PubChem CID 100916171) has the molecular formula C11H10N2 and a molecular weight of 170.21 g/mol. Its IUPAC name is N-cyclopenta-1,3-dien-1-yl-1-pyridin-4-ylmethanimine.

Molecular Properties

Compound NameN-cyclopenta-1,3-dien-1-yl-1-pyridin-4-ylmethanimine
PubChem CID100916171
Molecular FormulaC11H10N2
Molecular Weight170.21 g/mol
Exact Mass170.08
IUPAC NameN-cyclopenta-1,3-dien-1-yl-1-pyridin-4-ylmethanimine
SMILESC1=CCC(/N=C/c2ccncc2)=C1
InChIInChI=1S/C11H10N2/c1-2-4-11(3-1)13-9-10-5-7-12-8-6-10/h1-3,5-9H,4H2/b13-9+
InChIKeyNPSTWLHGLRIZLB-UKTHLTGXSA-N
XLogP2.34
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 52.34
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-cyclopenta-1,3-dien-1-yl-1-pyridin-4-ylmethanimine?
The IUPAC name of N-cyclopenta-1,3-dien-1-yl-1-pyridin-4-ylmethanimine (CID 100916171) is N-cyclopenta-1,3-dien-1-yl-1-pyridin-4-ylmethanimine.
What is the SMILES notation for N-cyclopenta-1,3-dien-1-yl-1-pyridin-4-ylmethanimine?
The canonical SMILES for N-cyclopenta-1,3-dien-1-yl-1-pyridin-4-ylmethanimine is C1=CCC(/N=C/c2ccncc2)=C1.
What is the InChIKey of N-cyclopenta-1,3-dien-1-yl-1-pyridin-4-ylmethanimine?
The InChIKey is NPSTWLHGLRIZLB-UKTHLTGXSA-N. The full InChI is InChI=1S/C11H10N2/c1-2-4-11(3-1)13-9-10-5-7-12-8-6-10/h1-3,5-9H,4H2/b13-9+.
What are the key properties of N-cyclopenta-1,3-dien-1-yl-1-pyridin-4-ylmethanimine?
N-cyclopenta-1,3-dien-1-yl-1-pyridin-4-ylmethanimine has a molecular weight of 170.21 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopenta-1,3-dien-1-yl-1-pyridin-4-ylmethanimine is sourced from PubChem (CID 100916171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).