1-prop-2-ynylpyridin-2-imine

C8H8N2 — CID 163322963

IUPAC1-prop-2-ynylpyridin-2-imine
SMILES[H]/N=c1\ccccn1CC#C
InChIInChI=1S/C8H8N2/c1-2-6-10-7-4-3-5-8(10)9/h1,3-5,7,9H,6H2/b9-8+
InChIKeyPSLSUCQNMWXXKI-CMDGGOBGSA-N
MW132.17 g/mol
LogP0.60
Rot. Bonds1

About 1-prop-2-ynylpyridin-2-imine

1-prop-2-ynylpyridin-2-imine (PubChem CID 163322963) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is 1-prop-2-ynylpyridin-2-imine.

Molecular Properties

Compound Name1-prop-2-ynylpyridin-2-imine
PubChem CID163322963
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name1-prop-2-ynylpyridin-2-imine
SMILES[H]/N=c1\ccccn1CC#C
InChIInChI=1S/C8H8N2/c1-2-6-10-7-4-3-5-8(10)9/h1,3-5,7,9H,6H2/b9-8+
InChIKeyPSLSUCQNMWXXKI-CMDGGOBGSA-N
XLogP0.60
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methylpyridin-2(1H)-imine
CID 138111
1-Prop-2-enylpyridin-2-imine;hydrobromide
CID 90654283
Iminoquinolizine
CID 129799109
1-Prop-2-enylpyridin-2-imine
CID 10866378
1-Ethylpyridin-2(1H)-imine
CID 12924176
1-(2-Bromoallyl)-2-iminopyridine
CID 12261355
1-Tert-butylpyridin-2-imine
CID 58097190
(3Z,5Z,7Z)-1-prop-2-enylazocin-2-imine
CID 67778580
1-Propan-2-ylpyridin-2-imine
CID 68347865
1-Methanimidoylpyridin-2-imine
CID 69916775
1-Ethenylpyridin-2-imine
CID 89470072
1-[(Z)-prop-1-enyl]pyridin-2-imine
CID 89843153

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-ynylpyridin-2-imine?
The IUPAC name of 1-prop-2-ynylpyridin-2-imine (CID 163322963) is 1-prop-2-ynylpyridin-2-imine.
What is the SMILES notation for 1-prop-2-ynylpyridin-2-imine?
The canonical SMILES for 1-prop-2-ynylpyridin-2-imine is [H]/N=c1\ccccn1CC#C.
What is the InChIKey of 1-prop-2-ynylpyridin-2-imine?
The InChIKey is PSLSUCQNMWXXKI-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H8N2/c1-2-6-10-7-4-3-5-8(10)9/h1,3-5,7,9H,6H2/b9-8+.
What are the key properties of 1-prop-2-ynylpyridin-2-imine?
1-prop-2-ynylpyridin-2-imine has a molecular weight of 132.17 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-ynylpyridin-2-imine is sourced from PubChem (CID 163322963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).