6-[(E)-but-1-enyl]-1,2-dihydropyridine

C9H13N — CID 121257902

IUPAC6-[(E)-but-1-enyl]-1,2-dihydropyridine
SMILESCC/C=C/C1=CC=CCN1
InChIInChI=1S/C9H13N/c1-2-3-6-9-7-4-5-8-10-9/h3-7,10H,2,8H2,1H3/b6-3+
InChIKeyGSNFBJPIVRMHTD-ZZXKWVIFSA-N
MW135.21 g/mol
LogP2.00
Rot. Bonds2

About 6-[(E)-but-1-enyl]-1,2-dihydropyridine

6-[(E)-but-1-enyl]-1,2-dihydropyridine (PubChem CID 121257902) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 6-[(E)-but-1-enyl]-1,2-dihydropyridine.

Molecular Properties

Compound Name6-[(E)-but-1-enyl]-1,2-dihydropyridine
PubChem CID121257902
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name6-[(E)-but-1-enyl]-1,2-dihydropyridine
SMILESCC/C=C/C1=CC=CCN1
InChIInChI=1S/C9H13N/c1-2-3-6-9-7-4-5-8-10-9/h3-7,10H,2,8H2,1H3/b6-3+
InChIKeyGSNFBJPIVRMHTD-ZZXKWVIFSA-N
XLogP2.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-but-1-enyl]-1,2-dihydropyridine?
The IUPAC name of 6-[(E)-but-1-enyl]-1,2-dihydropyridine (CID 121257902) is 6-[(E)-but-1-enyl]-1,2-dihydropyridine.
What is the SMILES notation for 6-[(E)-but-1-enyl]-1,2-dihydropyridine?
The canonical SMILES for 6-[(E)-but-1-enyl]-1,2-dihydropyridine is CC/C=C/C1=CC=CCN1.
What is the InChIKey of 6-[(E)-but-1-enyl]-1,2-dihydropyridine?
The InChIKey is GSNFBJPIVRMHTD-ZZXKWVIFSA-N. The full InChI is InChI=1S/C9H13N/c1-2-3-6-9-7-4-5-8-10-9/h3-7,10H,2,8H2,1H3/b6-3+.
What are the key properties of 6-[(E)-but-1-enyl]-1,2-dihydropyridine?
6-[(E)-but-1-enyl]-1,2-dihydropyridine has a molecular weight of 135.21 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-but-1-enyl]-1,2-dihydropyridine is sourced from PubChem (CID 121257902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).