(E)-N-[(Z)-1-(4-methyl-2,3-dihydropyridin-6-yl)prop-1-enyl]but-2-en-1-imine

C13H18N2 — CID 71158073

IUPAC(E)-N-[(Z)-1-(4-methyl-2,3-dihydropyridin-6-yl)prop-1-enyl]but-2-en-1-imine
SMILESC/C=C(\N=C\C=C\C)C1=NCCC(C)=C1
InChIInChI=1S/C13H18N2/c1-4-6-8-14-12(5-2)13-10-11(3)7-9-15-13/h4-6,8,10H,7,9H2,1-3H3/b6-4+,12-5-,14-8+
InChIKeyMPXQBAWMWBPWTH-UTVHSPOFSA-N
MW202.30 g/mol
LogP3.33
Rot. Bonds3

About (E)-N-[(Z)-1-(4-methyl-2,3-dihydropyridin-6-yl)prop-1-enyl]but-2-en-1-imine

(E)-N-[(Z)-1-(4-methyl-2,3-dihydropyridin-6-yl)prop-1-enyl]but-2-en-1-imine (PubChem CID 71158073) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (E)-N-[(Z)-1-(4-methyl-2,3-dihydropyridin-6-yl)prop-1-enyl]but-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-[(Z)-1-(4-methyl-2,3-dihydropyridin-6-yl)prop-1-enyl]but-2-en-1-imine
PubChem CID71158073
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name(E)-N-[(Z)-1-(4-methyl-2,3-dihydropyridin-6-yl)prop-1-enyl]but-2-en-1-imine
SMILESC/C=C(\N=C\C=C\C)C1=NCCC(C)=C1
InChIInChI=1S/C13H18N2/c1-4-6-8-14-12(5-2)13-10-11(3)7-9-15-13/h4-6,8,10H,7,9H2,1-3H3/b6-4+,12-5-,14-8+
InChIKeyMPXQBAWMWBPWTH-UTVHSPOFSA-N
XLogP3.33
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.33
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 (E)-N-[(Z)-1-(4-methyl-2,3-dihydropyridin-6-yl)prop-1-enyl]but-2-en-1-imine?
The IUPAC name of (E)-N-[(Z)-1-(4-methyl-2,3-dihydropyridin-6-yl)prop-1-enyl]but-2-en-1-imine (CID 71158073) is (E)-N-[(Z)-1-(4-methyl-2,3-dihydropyridin-6-yl)prop-1-enyl]but-2-en-1-imine.
What is the SMILES notation for (E)-N-[(Z)-1-(4-methyl-2,3-dihydropyridin-6-yl)prop-1-enyl]but-2-en-1-imine?
The canonical SMILES for (E)-N-[(Z)-1-(4-methyl-2,3-dihydropyridin-6-yl)prop-1-enyl]but-2-en-1-imine is C/C=C(\N=C\C=C\C)C1=NCCC(C)=C1.
What is the InChIKey of (E)-N-[(Z)-1-(4-methyl-2,3-dihydropyridin-6-yl)prop-1-enyl]but-2-en-1-imine?
The InChIKey is MPXQBAWMWBPWTH-UTVHSPOFSA-N. The full InChI is InChI=1S/C13H18N2/c1-4-6-8-14-12(5-2)13-10-11(3)7-9-15-13/h4-6,8,10H,7,9H2,1-3H3/b6-4+,12-5-,14-8+.
What are the key properties of (E)-N-[(Z)-1-(4-methyl-2,3-dihydropyridin-6-yl)prop-1-enyl]but-2-en-1-imine?
(E)-N-[(Z)-1-(4-methyl-2,3-dihydropyridin-6-yl)prop-1-enyl]but-2-en-1-imine has a molecular weight of 202.30 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(Z)-1-(4-methyl-2,3-dihydropyridin-6-yl)prop-1-enyl]but-2-en-1-imine is sourced from PubChem (CID 71158073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).