1-but-1-en-2-ylpyridin-2-imine

C9H12N2 — CID 123544074

IUPAC1-but-1-en-2-ylpyridin-2-imine
SMILES[H]/N=c1\ccccn1C(=C)CC
InChIInChI=1S/C9H12N2/c1-3-8(2)11-7-5-4-6-9(11)10/h4-7,10H,2-3H2,1H3/b10-9+
InChIKeyIEWALWOBMPJJBH-MDZDMXLPSA-N
MW148.21 g/mol
LogP1.85
Rot. Bonds2

About 1-but-1-en-2-ylpyridin-2-imine

1-but-1-en-2-ylpyridin-2-imine (PubChem CID 123544074) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 1-but-1-en-2-ylpyridin-2-imine.

Molecular Properties

Compound Name1-but-1-en-2-ylpyridin-2-imine
PubChem CID123544074
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name1-but-1-en-2-ylpyridin-2-imine
SMILES[H]/N=c1\ccccn1C(=C)CC
InChIInChI=1S/C9H12N2/c1-3-8(2)11-7-5-4-6-9(11)10/h4-7,10H,2-3H2,1H3/b10-9+
InChIKeyIEWALWOBMPJJBH-MDZDMXLPSA-N
XLogP1.85
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Prop-2-enylpyridin-2-imine;hydrobromide
CID 90654283
Pyridine, 1,2-dihydro-2-imino-1,6-dimethyl-
CID 86173652
Iminoquinolizine
CID 129799109
1-Prop-2-enylpyridin-2-imine
CID 10866378
1-(3-Fluoro-2-methylbut-3-en-2-yl)-4-methylpyridin-2-imine
CID 154965437
1-Ethylpyridin-2(1H)-imine
CID 12924176
3,4-Diethylimidazo[1,2-a]pyridin-4-ium
CID 22909639
1-Tert-butylpyridin-2-imine
CID 58097190
1-Propan-2-ylpyridin-2-imine
CID 68347865
(Z)-(1-prop-1-en-2-yl-2-pyridinylidene)hydrazine
CID 88940997
N-cyclohexa-1,5-dien-1-yl-N-methylethanimidamide
CID 89402555
1-[(Z)-prop-1-enyl]pyridin-2-imine
CID 89843153

Frequently Asked Questions

What is the IUPAC name of 1-but-1-en-2-ylpyridin-2-imine?
The IUPAC name of 1-but-1-en-2-ylpyridin-2-imine (CID 123544074) is 1-but-1-en-2-ylpyridin-2-imine.
What is the SMILES notation for 1-but-1-en-2-ylpyridin-2-imine?
The canonical SMILES for 1-but-1-en-2-ylpyridin-2-imine is [H]/N=c1\ccccn1C(=C)CC.
What is the InChIKey of 1-but-1-en-2-ylpyridin-2-imine?
The InChIKey is IEWALWOBMPJJBH-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H12N2/c1-3-8(2)11-7-5-4-6-9(11)10/h4-7,10H,2-3H2,1H3/b10-9+.
What are the key properties of 1-but-1-en-2-ylpyridin-2-imine?
1-but-1-en-2-ylpyridin-2-imine has a molecular weight of 148.21 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-en-2-ylpyridin-2-imine is sourced from PubChem (CID 123544074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).