N-(1-prop-2-enyl-2H-pyridin-6-yl)methanimine

C9H12N2 — CID 69239175

IUPACN-(1-prop-2-enyl-2H-pyridin-6-yl)methanimine
SMILESC=CCN1CC=CC=C1N=C
InChIInChI=1S/C9H12N2/c1-3-7-11-8-5-4-6-9(11)10-2/h3-6H,1-2,7-8H2
InChIKeyYMVDJHMGZHDIDQ-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.59
Rot. Bonds3

About N-(1-prop-2-enyl-2H-pyridin-6-yl)methanimine

N-(1-prop-2-enyl-2H-pyridin-6-yl)methanimine (PubChem CID 69239175) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is N-(1-prop-2-enyl-2H-pyridin-6-yl)methanimine.

Molecular Properties

Compound NameN-(1-prop-2-enyl-2H-pyridin-6-yl)methanimine
PubChem CID69239175
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC NameN-(1-prop-2-enyl-2H-pyridin-6-yl)methanimine
SMILESC=CCN1CC=CC=C1N=C
InChIInChI=1S/C9H12N2/c1-3-7-11-8-5-4-6-9(11)10-2/h3-6H,1-2,7-8H2
InChIKeyYMVDJHMGZHDIDQ-UHFFFAOYSA-N
XLogP1.59
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-prop-2-enyl-2H-pyridin-6-yl)methanimine?
The IUPAC name of N-(1-prop-2-enyl-2H-pyridin-6-yl)methanimine (CID 69239175) is N-(1-prop-2-enyl-2H-pyridin-6-yl)methanimine.
What is the SMILES notation for N-(1-prop-2-enyl-2H-pyridin-6-yl)methanimine?
The canonical SMILES for N-(1-prop-2-enyl-2H-pyridin-6-yl)methanimine is C=CCN1CC=CC=C1N=C.
What is the InChIKey of N-(1-prop-2-enyl-2H-pyridin-6-yl)methanimine?
The InChIKey is YMVDJHMGZHDIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-3-7-11-8-5-4-6-9(11)10-2/h3-6H,1-2,7-8H2.
What are the key properties of N-(1-prop-2-enyl-2H-pyridin-6-yl)methanimine?
N-(1-prop-2-enyl-2H-pyridin-6-yl)methanimine has a molecular weight of 148.21 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-prop-2-enyl-2H-pyridin-6-yl)methanimine is sourced from PubChem (CID 69239175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).