(2Z)-N-(3,4-dihydropyridin-2-ylmethyl)penta-2,4-dien-1-imine

C11H14N2 — CID 134447867

IUPAC(2Z)-N-(3,4-dihydropyridin-2-ylmethyl)penta-2,4-dien-1-imine
SMILESC=C/C=C\C=N\CC1=NC=CCC1
InChIInChI=1S/C11H14N2/c1-2-3-5-8-12-10-11-7-4-6-9-13-11/h2-3,5-6,8-9H,1,4,7,10H2/b5-3-,12-8+
InChIKeyMVNXMPFHXGGPAU-VRMADBIASA-N
MW174.25 g/mol
LogP2.55
Rot. Bonds4

About (2Z)-N-(3,4-dihydropyridin-2-ylmethyl)penta-2,4-dien-1-imine

(2Z)-N-(3,4-dihydropyridin-2-ylmethyl)penta-2,4-dien-1-imine (PubChem CID 134447867) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is (2Z)-N-(3,4-dihydropyridin-2-ylmethyl)penta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z)-N-(3,4-dihydropyridin-2-ylmethyl)penta-2,4-dien-1-imine
PubChem CID134447867
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name(2Z)-N-(3,4-dihydropyridin-2-ylmethyl)penta-2,4-dien-1-imine
SMILESC=C/C=C\C=N\CC1=NC=CCC1
InChIInChI=1S/C11H14N2/c1-2-3-5-8-12-10-11-7-4-6-9-13-11/h2-3,5-6,8-9H,1,4,7,10H2/b5-3-,12-8+
InChIKeyMVNXMPFHXGGPAU-VRMADBIASA-N
XLogP2.55
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-N-(3,4-dihydropyridin-2-ylmethyl)penta-2,4-dien-1-imine?
The IUPAC name of (2Z)-N-(3,4-dihydropyridin-2-ylmethyl)penta-2,4-dien-1-imine (CID 134447867) is (2Z)-N-(3,4-dihydropyridin-2-ylmethyl)penta-2,4-dien-1-imine.
What is the SMILES notation for (2Z)-N-(3,4-dihydropyridin-2-ylmethyl)penta-2,4-dien-1-imine?
The canonical SMILES for (2Z)-N-(3,4-dihydropyridin-2-ylmethyl)penta-2,4-dien-1-imine is C=C/C=C\C=N\CC1=NC=CCC1.
What is the InChIKey of (2Z)-N-(3,4-dihydropyridin-2-ylmethyl)penta-2,4-dien-1-imine?
The InChIKey is MVNXMPFHXGGPAU-VRMADBIASA-N. The full InChI is InChI=1S/C11H14N2/c1-2-3-5-8-12-10-11-7-4-6-9-13-11/h2-3,5-6,8-9H,1,4,7,10H2/b5-3-,12-8+.
What are the key properties of (2Z)-N-(3,4-dihydropyridin-2-ylmethyl)penta-2,4-dien-1-imine?
(2Z)-N-(3,4-dihydropyridin-2-ylmethyl)penta-2,4-dien-1-imine has a molecular weight of 174.25 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-(3,4-dihydropyridin-2-ylmethyl)penta-2,4-dien-1-imine is sourced from PubChem (CID 134447867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).