N-[(1R)-1-cyclopenta-1,3-dien-1-ylethyl]-1-pyridin-2-ylmethanimine

C13H14N2 — CID 101469061

IUPACN-[(1R)-1-cyclopenta-1,3-dien-1-ylethyl]-1-pyridin-2-ylmethanimine
SMILESC[C@@H](/N=C/c1ccccn1)C1=CC=CC1
InChIInChI=1S/C13H14N2/c1-11(12-6-2-3-7-12)15-10-13-8-4-5-9-14-13/h2-6,8-11H,7H2,1H3/b15-10+/t11-/m1/s1
InChIKeyFHXJNPNNPQJCKF-HGLKBHAMSA-N
MW198.27 g/mol
LogP2.78
Rot. Bonds3

About N-[(1R)-1-cyclopenta-1,3-dien-1-ylethyl]-1-pyridin-2-ylmethanimine

N-[(1R)-1-cyclopenta-1,3-dien-1-ylethyl]-1-pyridin-2-ylmethanimine (PubChem CID 101469061) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-[(1R)-1-cyclopenta-1,3-dien-1-ylethyl]-1-pyridin-2-ylmethanimine.

Molecular Properties

Compound NameN-[(1R)-1-cyclopenta-1,3-dien-1-ylethyl]-1-pyridin-2-ylmethanimine
PubChem CID101469061
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC NameN-[(1R)-1-cyclopenta-1,3-dien-1-ylethyl]-1-pyridin-2-ylmethanimine
SMILESC[C@@H](/N=C/c1ccccn1)C1=CC=CC1
InChIInChI=1S/C13H14N2/c1-11(12-6-2-3-7-12)15-10-13-8-4-5-9-14-13/h2-6,8-11H,7H2,1H3/b15-10+/t11-/m1/s1
InChIKeyFHXJNPNNPQJCKF-HGLKBHAMSA-N
XLogP2.78
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.78
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-[(1R)-1-cyclopenta-1,3-dien-1-ylethyl]-1-pyridin-2-ylmethanimine?
The IUPAC name of N-[(1R)-1-cyclopenta-1,3-dien-1-ylethyl]-1-pyridin-2-ylmethanimine (CID 101469061) is N-[(1R)-1-cyclopenta-1,3-dien-1-ylethyl]-1-pyridin-2-ylmethanimine.
What is the SMILES notation for N-[(1R)-1-cyclopenta-1,3-dien-1-ylethyl]-1-pyridin-2-ylmethanimine?
The canonical SMILES for N-[(1R)-1-cyclopenta-1,3-dien-1-ylethyl]-1-pyridin-2-ylmethanimine is C[C@@H](/N=C/c1ccccn1)C1=CC=CC1.
What is the InChIKey of N-[(1R)-1-cyclopenta-1,3-dien-1-ylethyl]-1-pyridin-2-ylmethanimine?
The InChIKey is FHXJNPNNPQJCKF-HGLKBHAMSA-N. The full InChI is InChI=1S/C13H14N2/c1-11(12-6-2-3-7-12)15-10-13-8-4-5-9-14-13/h2-6,8-11H,7H2,1H3/b15-10+/t11-/m1/s1.
What are the key properties of N-[(1R)-1-cyclopenta-1,3-dien-1-ylethyl]-1-pyridin-2-ylmethanimine?
N-[(1R)-1-cyclopenta-1,3-dien-1-ylethyl]-1-pyridin-2-ylmethanimine has a molecular weight of 198.27 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclopenta-1,3-dien-1-ylethyl]-1-pyridin-2-ylmethanimine is sourced from PubChem (CID 101469061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).