6-[bis(prop-2-enyl)amino]pyridine-3-carbaldehyde

C12H14N2O — CID 80636417

IUPAC6-[bis(prop-2-enyl)amino]pyridine-3-carbaldehyde
SMILESC=CCN(CC=C)c1ccc(C=O)cn1
InChIInChI=1S/C12H14N2O/c1-3-7-14(8-4-2)12-6-5-11(10-15)9-13-12/h3-6,9-10H,1-2,7-8H2
InChIKeyOZLUVAKIHDXUAA-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.07
Rot. Bonds6

About 6-[bis(prop-2-enyl)amino]pyridine-3-carbaldehyde

6-[bis(prop-2-enyl)amino]pyridine-3-carbaldehyde (PubChem CID 80636417) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 6-[bis(prop-2-enyl)amino]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[bis(prop-2-enyl)amino]pyridine-3-carbaldehyde
PubChem CID80636417
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name6-[bis(prop-2-enyl)amino]pyridine-3-carbaldehyde
SMILESC=CCN(CC=C)c1ccc(C=O)cn1
InChIInChI=1S/C12H14N2O/c1-3-7-14(8-4-2)12-6-5-11(10-15)9-13-12/h3-6,9-10H,1-2,7-8H2
InChIKeyOZLUVAKIHDXUAA-UHFFFAOYSA-N
XLogP2.07
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[bis(prop-2-enyl)amino]pyridine-3-carbaldehyde?
The IUPAC name of 6-[bis(prop-2-enyl)amino]pyridine-3-carbaldehyde (CID 80636417) is 6-[bis(prop-2-enyl)amino]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-[bis(prop-2-enyl)amino]pyridine-3-carbaldehyde?
The canonical SMILES for 6-[bis(prop-2-enyl)amino]pyridine-3-carbaldehyde is C=CCN(CC=C)c1ccc(C=O)cn1.
What is the InChIKey of 6-[bis(prop-2-enyl)amino]pyridine-3-carbaldehyde?
The InChIKey is OZLUVAKIHDXUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-3-7-14(8-4-2)12-6-5-11(10-15)9-13-12/h3-6,9-10H,1-2,7-8H2.
What are the key properties of 6-[bis(prop-2-enyl)amino]pyridine-3-carbaldehyde?
6-[bis(prop-2-enyl)amino]pyridine-3-carbaldehyde has a molecular weight of 202.26 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis(prop-2-enyl)amino]pyridine-3-carbaldehyde is sourced from PubChem (CID 80636417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).