N-[5-[(Z)-prop-1-enyl]-1,2-dihydropyridin-6-yl]methanimine

C9H12N2 — CID 155150103

IUPACN-[5-[(Z)-prop-1-enyl]-1,2-dihydropyridin-6-yl]methanimine
SMILESC=NC1=C(/C=C\C)C=CCN1
InChIInChI=1S/C9H12N2/c1-3-5-8-6-4-7-11-9(8)10-2/h3-6,11H,2,7H2,1H3/b5-3-
InChIKeyCWXZUOPVDDNHFA-HYXAFXHYSA-N
MW148.21 g/mol
LogP1.63
Rot. Bonds2

About N-[5-[(Z)-prop-1-enyl]-1,2-dihydropyridin-6-yl]methanimine

N-[5-[(Z)-prop-1-enyl]-1,2-dihydropyridin-6-yl]methanimine (PubChem CID 155150103) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is N-[5-[(Z)-prop-1-enyl]-1,2-dihydropyridin-6-yl]methanimine.

Molecular Properties

Compound NameN-[5-[(Z)-prop-1-enyl]-1,2-dihydropyridin-6-yl]methanimine
PubChem CID155150103
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC NameN-[5-[(Z)-prop-1-enyl]-1,2-dihydropyridin-6-yl]methanimine
SMILESC=NC1=C(/C=C\C)C=CCN1
InChIInChI=1S/C9H12N2/c1-3-5-8-6-4-7-11-9(8)10-2/h3-6,11H,2,7H2,1H3/b5-3-
InChIKeyCWXZUOPVDDNHFA-HYXAFXHYSA-N
XLogP1.63
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.63
H-Bond Donors ≤ 51
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-[5-[(Z)-prop-1-enyl]-1,2-dihydropyridin-6-yl]methanimine?
The IUPAC name of N-[5-[(Z)-prop-1-enyl]-1,2-dihydropyridin-6-yl]methanimine (CID 155150103) is N-[5-[(Z)-prop-1-enyl]-1,2-dihydropyridin-6-yl]methanimine.
What is the SMILES notation for N-[5-[(Z)-prop-1-enyl]-1,2-dihydropyridin-6-yl]methanimine?
The canonical SMILES for N-[5-[(Z)-prop-1-enyl]-1,2-dihydropyridin-6-yl]methanimine is C=NC1=C(/C=C\C)C=CCN1.
What is the InChIKey of N-[5-[(Z)-prop-1-enyl]-1,2-dihydropyridin-6-yl]methanimine?
The InChIKey is CWXZUOPVDDNHFA-HYXAFXHYSA-N. The full InChI is InChI=1S/C9H12N2/c1-3-5-8-6-4-7-11-9(8)10-2/h3-6,11H,2,7H2,1H3/b5-3-.
What are the key properties of N-[5-[(Z)-prop-1-enyl]-1,2-dihydropyridin-6-yl]methanimine?
N-[5-[(Z)-prop-1-enyl]-1,2-dihydropyridin-6-yl]methanimine has a molecular weight of 148.21 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(Z)-prop-1-enyl]-1,2-dihydropyridin-6-yl]methanimine is sourced from PubChem (CID 155150103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).