N-(3-methylidene-2H-pyridin-2-yl)propan-1-imine

C9H12N2 — CID 123993782

IUPACN-(3-methylidene-2H-pyridin-2-yl)propan-1-imine
SMILESC=C1C=CC=NC1N=CCC
InChIInChI=1S/C9H12N2/c1-3-6-10-9-8(2)5-4-7-11-9/h4-7,9H,2-3H2,1H3
InChIKeyQBADGHFBUVFYSH-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.99
Rot. Bonds2

About N-(3-methylidene-2H-pyridin-2-yl)propan-1-imine

N-(3-methylidene-2H-pyridin-2-yl)propan-1-imine (PubChem CID 123993782) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is N-(3-methylidene-2H-pyridin-2-yl)propan-1-imine.

Molecular Properties

Compound NameN-(3-methylidene-2H-pyridin-2-yl)propan-1-imine
PubChem CID123993782
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC NameN-(3-methylidene-2H-pyridin-2-yl)propan-1-imine
SMILESC=C1C=CC=NC1N=CCC
InChIInChI=1S/C9H12N2/c1-3-6-10-9-8(2)5-4-7-11-9/h4-7,9H,2-3H2,1H3
InChIKeyQBADGHFBUVFYSH-UHFFFAOYSA-N
XLogP1.99
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylidene-2H-pyridin-2-yl)propan-1-imine?
The IUPAC name of N-(3-methylidene-2H-pyridin-2-yl)propan-1-imine (CID 123993782) is N-(3-methylidene-2H-pyridin-2-yl)propan-1-imine.
What is the SMILES notation for N-(3-methylidene-2H-pyridin-2-yl)propan-1-imine?
The canonical SMILES for N-(3-methylidene-2H-pyridin-2-yl)propan-1-imine is C=C1C=CC=NC1N=CCC.
What is the InChIKey of N-(3-methylidene-2H-pyridin-2-yl)propan-1-imine?
The InChIKey is QBADGHFBUVFYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-3-6-10-9-8(2)5-4-7-11-9/h4-7,9H,2-3H2,1H3.
What are the key properties of N-(3-methylidene-2H-pyridin-2-yl)propan-1-imine?
N-(3-methylidene-2H-pyridin-2-yl)propan-1-imine has a molecular weight of 148.21 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylidene-2H-pyridin-2-yl)propan-1-imine is sourced from PubChem (CID 123993782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).