N-[1-(3,4-dihydropyridin-2-yl)ethenyl]prop-2-en-1-imine

C10H12N2 — CID 122545432

IUPACN-[1-(3,4-dihydropyridin-2-yl)ethenyl]prop-2-en-1-imine
SMILESC=C/C=N/C(=C)C1=NC=CCC1
InChIInChI=1S/C10H12N2/c1-3-7-11-9(2)10-6-4-5-8-12-10/h3,5,7-8H,1-2,4,6H2/b11-7+
InChIKeyXFAXRIXQHHPWHM-YRNVUSSQSA-N
MW160.22 g/mol
LogP2.51
Rot. Bonds3

About N-[1-(3,4-dihydropyridin-2-yl)ethenyl]prop-2-en-1-imine

N-[1-(3,4-dihydropyridin-2-yl)ethenyl]prop-2-en-1-imine (PubChem CID 122545432) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is N-[1-(3,4-dihydropyridin-2-yl)ethenyl]prop-2-en-1-imine.

Molecular Properties

Compound NameN-[1-(3,4-dihydropyridin-2-yl)ethenyl]prop-2-en-1-imine
PubChem CID122545432
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC NameN-[1-(3,4-dihydropyridin-2-yl)ethenyl]prop-2-en-1-imine
SMILESC=C/C=N/C(=C)C1=NC=CCC1
InChIInChI=1S/C10H12N2/c1-3-7-11-9(2)10-6-4-5-8-12-10/h3,5,7-8H,1-2,4,6H2/b11-7+
InChIKeyXFAXRIXQHHPWHM-YRNVUSSQSA-N
XLogP2.51
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.51
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-[1-(3,4-dihydropyridin-2-yl)ethenyl]prop-2-en-1-imine?
The IUPAC name of N-[1-(3,4-dihydropyridin-2-yl)ethenyl]prop-2-en-1-imine (CID 122545432) is N-[1-(3,4-dihydropyridin-2-yl)ethenyl]prop-2-en-1-imine.
What is the SMILES notation for N-[1-(3,4-dihydropyridin-2-yl)ethenyl]prop-2-en-1-imine?
The canonical SMILES for N-[1-(3,4-dihydropyridin-2-yl)ethenyl]prop-2-en-1-imine is C=C/C=N/C(=C)C1=NC=CCC1.
What is the InChIKey of N-[1-(3,4-dihydropyridin-2-yl)ethenyl]prop-2-en-1-imine?
The InChIKey is XFAXRIXQHHPWHM-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H12N2/c1-3-7-11-9(2)10-6-4-5-8-12-10/h3,5,7-8H,1-2,4,6H2/b11-7+.
What are the key properties of N-[1-(3,4-dihydropyridin-2-yl)ethenyl]prop-2-en-1-imine?
N-[1-(3,4-dihydropyridin-2-yl)ethenyl]prop-2-en-1-imine has a molecular weight of 160.22 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dihydropyridin-2-yl)ethenyl]prop-2-en-1-imine is sourced from PubChem (CID 122545432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).